(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H22ClNO5S/c23-17-9-15-11-27-14-29-21(15)16(10-17)12-28-22(26)18-5-1-2-6-19(18)30-13-20(25)24-7-3-4-8-24/h1-2,5-6,9-10H,3-4,7-8,11-14H2