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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(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=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C18H20N2O3S2/c1-13(17(21)20-8-2-3-9-20)23-18(22)14-4-6-16(7-5-14)25-11-15-10-24-12-19-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3