methyl 4-methyl-5-(phenylcarbamoyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-15-19(23(28)29-2)22(25-18(26)14-13-16-9-5-3-6-10-16)30-20(15)21(27)24-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,24,27)(H,25,26)