1,3-benzodioxol-5-yl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19NO5S/c22-19(21-9-3-4-10-21)12-27-18-6-2-1-5-15(18)20(23)26-14-7-8-16-17(11-14)25-13-24-16/h1-2,5-8,11H,3-4,9-10,12-13H2