1-[(Z)-4-(4-acetamidophenyl)-2-ethanoylsulfanyl-3-methyl-4-oxidanylidene-but-2-enyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(Z)-4-(4-acetamidophenyl)-2-ethanoylsulfanyl-3-methyl-4-oxidanylidene-but-2-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(Z)-4-(4-acetamidophenyl)-2-acetylsulfanyl-3-methyl-4-oxo-but-2-enyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(Z)-4-(4-acetamidophenyl)-2-(acetylthio)-3-methyl-4-oxobut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(4-acetamidophenyl)-2-acetylsulfanyl-3-methyl-4-oxobut-2-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(Z)-4-(4-acetamidophenyl)-2-(acetylthio)-4-keto-3-methyl-but-2-enyl]proline Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1CCCC1C(=O)O)SC(=O)C)C(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C/C(=C(\CN1CCCC1C(=O)O)/SC(=O)C)/C(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-12(19(25)15-6-8-16(9-7-15)21-13(2)23)18(28-14(3)24)11-22-10-4-5-17(22)20(26)27/h6-9,17H,4-5,10-11H2,1-3H3,(H,21,23)(H,26,27)/b18-12-