1-[4-(5-chloranylthiophen-2-yl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(5-chloro-2-thienyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(5-chloro-2-thiophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(5-chlorothiophen-2-yl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(5-chloro-2-thienyl)-4-keto-2-methyl-butanoyl]proline Formula: C16H18ClNO5S2 MolecularWeight: 403.90082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=C(S1)Cl)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=C(S1)Cl)SC(=O)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H18ClNO5S2/c1-8(15(21)18-7-3-4-10(18)16(22)23)14(24-9(2)19)13(20)11-5-6-12(17)25-11/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,22,23)