(1-oxidanylidene-1-phenyl-propan-2-yl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OC(C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S2/c1-14-12-26-21(22-14)27-13-17-10-6-7-11-18(17)20(24)25-15(2)19(23)16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3