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

Systemtic Name: (3,4-dimethylphenyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (3,4-dimethylphenyl) 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (3,4-dimethylphenyl) ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-15-9-10-17(13-16(15)2)25-21(24)18-7-3-4-8-19(18)26-14-20(23)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3