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

Systemtic Name: 1-[4-(3-chlorophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(3-chlorophenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(3-chlorophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(3-chlorophenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(3-chlorophenyl)-4-keto-butanoyl]proline Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H18ClNO5S/c1-10(20)25-14(16(22)11-4-2-5-12(18)8-11)9-15(21)19-7-3-6-13(19)17(23)24/h2,4-5,8,13-14H,3,6-7,9H2,1H3,(H,23,24)