(2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-23(2)19(24)14-27-18-11-7-6-10-17(18)21(25)26-12-16-13-28-20(22-16)15-8-4-3-5-9-15/h3-11,13H,12,14H2,1-2H3