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

Systemtic Name: 1-[4-(1-benzothiophen-2-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(benzothiophen-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(1-benzothiophen-2-yl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(1-benzothiophen-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(benzothiophen-2-yl)-4-keto-butanoyl]proline Formula: C19H19NO5S2 MolecularWeight: 405.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C19H19NO5S2/c1-11(21)26-16(10-17(22)20-8-4-6-13(20)19(24)25)18(23)15-9-12-5-2-3-7-14(12)27-15/h2-3,5,7,9,13,16H,4,6,8,10H2,1H3,(H,24,25)