2-(2-cyanoethanoylamino)-4-(3,5-dimethylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-4-(3,5-dimethylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-4-(3,5-dimethylphenyl)thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-(3,5-dimethylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-(3,5-dimethylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-4-(3,5-dimethylphenyl)-3-thenoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CSC(=C2C(=O)O)NC(=O)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CSC(=C2C(=O)O)NC(=O)CC#N)C

InChI

InChI=1S/C16H14N2O3S/c1-9-5-10(2)7-11(6-9)12-8-22-15(14(12)16(20)21)18-13(19)3-4-17/h5-8H,3H2,1-2H3,(H,18,19)(H,20,21)