5-(3-cyanophenyl)-3-[methyl-(4-methylphenyl)carbonyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(3-cyanophenyl)-3-[methyl-(4-methylphenyl)carbonyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(3-cyanophenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3-cyanophenyl)-3-[methyl-[(4-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-cyanophenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3-cyanophenyl)-3-[methyl(p-toluoyl)amino]-2-thenoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-13-6-8-15(9-7-13)20(24)23(2)17-11-18(27-19(17)21(25)26)16-5-3-4-14(10-16)12-22/h3-11H,1-2H3,(H,25,26)