F12

2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID

Created:	2006-06-21
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of F12

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Chemical Component Summary
Name	2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	2-acetamidothiophene-3-carboxylic acid
Formula	C₇ H₇ N O₃ S
Molecular Weight	185.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1c(scc1)NC(=O)C
SMILES	CACTVS	3.341	CC(=O)Nc1sccc1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1c(ccs1)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)Nc1sccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1c(ccs1)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey	InChI	1.03	RCEBHKDQZCVBTC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1477332
ChEMBL	CHEMBL1213612

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