2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 2-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]benzoic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C15H12N2O3S/c1-8-9(2)21-14(12(8)7-16)17-13(18)10-5-3-4-6-11(10)15(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)