(2,6-dimethylphenyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (2,6-dimethylphenyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (2,6-dimethylphenyl) 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2,6-dimethylphenyl) ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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