[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)C

InChI

InChI=1S/C23H25NO4S/c1-16-9-10-18(13-17(16)2)20(25)14-28-23(27)19-7-3-4-8-21(19)29-15-22(26)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3