(1-cyanoindolizin-2-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C23H21N3O3S/c24-13-19-17(14-26-12-4-3-8-20(19)26)15-29-23(28)18-7-1-2-9-21(18)30-16-22(27)25-10-5-6-11-25/h1-4,7-9,12,14H,5-6,10-11,15-16H2