(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C18H20N2O3S2/c1-13(17(21)20-8-4-5-9-20)23-18(22)15-6-2-3-7-16(15)25-11-14-10-24-12-19-14/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3