1-[3-ethanoylsulfanyl-4-(1-methylindol-3-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(1-methylindol-3-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(1-methylindol-3-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(1-methyl-3-indolyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(1-methylindol-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(1-methylindol-3-yl)butanoyl]proline Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C20H22N2O5S/c1-12(23)28-17(10-18(24)22-9-5-8-16(22)20(26)27)19(25)14-11-21(2)15-7-4-3-6-13(14)15/h3-4,6-7,11,16-17H,5,8-10H2,1-2H3,(H,26,27)