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

Systemtic Name: 1-[4-(5-chloranylthiophen-3-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(5-chloro-3-thienyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(5-chloro-3-thiophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(5-chlorothiophen-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(5-chloro-3-thienyl)-4-keto-butanoyl]proline Formula: C15H16ClNO5S2 MolecularWeight: 389.87424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO5S2/c1-8(18)24-11(14(20)9-5-12(16)23-7-9)6-13(19)17-4-2-3-10(17)15(21)22/h5,7,10-11H,2-4,6H2,1H3,(H,21,22)