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

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-15-13-28-22(23-15)29-14-18-10-6-7-11-19(18)21(26)27-12-20(25)24-16(2)17-8-4-3-5-9-17/h3-11,13,16H,12,14H2,1-2H3,(H,24,25)