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

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]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=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC=CC=C3

InChI

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