[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

InChI

InChI=1S/C25H24N2O4S/c1-16(2)13-21(28)27-24-23(19(15-32-24)18-10-5-4-6-11-18)25(30)31-14-22(29)26-20-12-8-7-9-17(20)3/h4-13,15H,14H2,1-3H3,(H,26,29)(H,27,28)