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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]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=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=CC=C3

InChI

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