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

Systemtic Name: methyl 2-(3-phenylpropanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(3-phenylpropanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-4-(4-propoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylpropanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO4S/c1-3-15-29-19-12-10-18(11-13-19)20-16-30-23(22(20)24(27)28-2)25-21(26)14-9-17-7-5-4-6-8-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,25,26)