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

Systemtic Name: methyl 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S/c1-3-28-18-12-10-17(11-13-18)19-15-29-22(21(19)23(26)27-2)24-20(25)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,24,25)