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

Systemtic Name: 1-[4-(1-benzothiophen-2-yl)-2,3-dimethyl-4-oxidanylidene-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzothiophen-2-yl)-2,3-dimethyl-4-oxo-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(1-benzothiophen-2-yl)-2-mercapto-2,3-dimethyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzothiophen-2-yl)-2,3-dimethyl-4-oxo-2-sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzothiophen-2-yl)-4-keto-2-mercapto-2,3-dimethyl-butanoyl]proline Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2S1)C(C)(C(=O)N3CCCC3C(=O)O)S

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2S1)C(C)(C(=O)N3CCCC3C(=O)O)S

InChI

InChI=1S/C19H21NO4S2/c1-11(16(21)15-10-12-6-3-4-8-14(12)26-15)19(2,25)18(24)20-9-5-7-13(20)17(22)23/h3-4,6,8,10-11,13,25H,5,7,9H2,1-2H3,(H,22,23)