J2C

8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

Created:	2021-03-24
Last modified:	2024-09-27

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1 entries where J2C is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	5

2D diagram of J2C

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Chemical Component Summary
Name	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Systematic Name (OpenEye OEToolkits)	8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Formula	C₁₄ H₁₇ Cl N₂ O₃ S
Molecular Weight	328.814
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl
Canonical SMILES	CACTVS	3.385	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl
InChI	InChI	1.03	InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2
InChIKey	InChI	1.03	JVOXTZLPLJUOKX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46112680

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