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

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(1H-indol-3-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(1H-indol-3-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(1H-indol-3-yl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(1H-indol-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(1H-indol-3-yl)-4-keto-butanoyl]proline Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H20N2O5S/c1-11(22)27-16(9-17(23)21-8-4-7-15(21)19(25)26)18(24)13-10-20-14-6-3-2-5-12(13)14/h2-3,5-6,10,15-16,20H,4,7-9H2,1H3,(H,25,26)