(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O4S/c24-19(23-11-5-6-12-23)13-26-20(25)16-8-2-1-7-15(16)14-28-21-22-17-9-3-4-10-18(17)27-21/h1-4,7-10H,5-6,11-14H2