9C3

9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

Created:	2018-03-09
Last modified:	2019-01-16

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1 entries where 9C3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of 9C3

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Chemical Component Summary
Name	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Systematic Name (OpenEye OEToolkits)	9-(4-propan-2-yloxyphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Formula	C₁₆ H₁₈ N₂ O₃ S
Molecular Weight	318.391
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
SMILES	CACTVS	3.385	CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILES	OpenEye OEToolkits	2.0.6	CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
Canonical SMILES	CACTVS	3.385	CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
InChI	InChI	1.03	InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
InChIKey	InChI	1.03	FNMSASHKBXSERE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66747896

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