[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-3-19(25)22-15-8-6-14(7-9-15)17(24)12-27-20(26)11-16(21-13(2)23)18-5-4-10-28-18/h4-10,16H,3,11-12H2,1-2H3,(H,21,23)(H,22,25)