1-[4-(1-methylpyrrol-2-yl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-methylpyrrol-2-yl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-(1-methylpyrrol-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-4-(1-methyl-2-pyrrolyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-4-(1-methylpyrrol-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-keto-4-(1-methylpyrrol-2-yl)butanoyl]proline Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-22-11-5-9-15(22)19(25)17(29-21(28)14-7-3-2-4-8-14)13-18(24)23-12-6-10-16(23)20(26)27/h2-5,7-9,11,16-17H,6,10,12-13H2,1H3,(H,26,27)