methyl 2-(3,3-diphenylpropanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-diphenylpropanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[(1-oxo-3,3-diphenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO3S/c1-19-13-15-22(16-14-19)24-18-33-27(26(24)28(31)32-2)29-25(30)17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H,29,30)