1-[4-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(phenylcarbonyl)butanethioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(phenylcarbonyl)butanethioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-benzoyl-4-(3,4-dimethoxyphenyl)-4-oxo-butanethioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-benzoyl-4-(3,4-dimethoxyphenyl)-4-oxo-1-sulfanylidenebutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-benzoyl-4-(3,4-dimethoxyphenyl)-4-oxobutanethioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-benzoyl-4-(3,4-dimethoxyphenyl)-4-keto-butanethioyl]proline Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)C(=S)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)C(=S)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C24H25NO6S/c1-30-20-11-10-16(13-21(20)31-2)19(26)14-17(22(27)15-7-4-3-5-8-15)23(32)25-12-6-9-18(25)24(28)29/h3-5,7-8,10-11,13,17-18H,6,9,12,14H2,1-2H3,(H,28,29)