methyl 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-26-17-11-9-16(10-12-17)18-14-28-21(20(18)22(25)27-2)23-19(24)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,23,24)