[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C21H22N2O3S2/c1-23(2)19(24)18(15-8-4-3-5-9-15)26-20(25)17-11-7-6-10-16(17)14-28-21-22-12-13-27-21/h3-11,18H,12-14H2,1-2H3/t18-/m0/s1