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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-13-11-26-20(22-13)27-12-15-9-5-6-10-16(15)19(24)25-17(18(21)23)14-7-3-2-4-8-14/h2-11,17H,12H2,1H3,(H2,21,23)