5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylbenzoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[(3-cyanophenyl)methyl]-3-[[(2-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylbenzoyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3-cyanobenzyl)-3-(o-toluoylamino)-2-thenoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(SC(=C2)CC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(SC(=C2)CC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-13-5-2-3-8-17(13)20(24)23-18-11-16(27-19(18)21(25)26)10-14-6-4-7-15(9-14)12-22/h2-9,11H,10H2,1H3,(H,23,24)(H,25,26)