(phenylmethyl) 2-(cyanomethylsulfanyl)-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-(cyanomethylsulfanyl)-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-(2-benzyloxy-2-oxo-ethyl)sulfanyl-2-(cyanomethylsulfanyl)thiazole-5-carboxylate CAS Name: 2-(cyanomethylthio)-4-[(2-oxo-2-phenylmethoxyethyl)thio]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(cyanomethylsulfanyl)-4-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,3-thiazole-5-carboxylate Traditional Name: 4-[(2-benzoxy-2-keto-ethyl)thio]-2-(cyanomethylthio)thiazole-5-carboxylic acid benzyl ester Formula: C22H18N2O4S3 MolecularWeight: 470.58432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(SC(=N2)SCC#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(SC(=N2)SCC#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S3/c23-11-12-29-22-24-20(30-15-18(25)27-13-16-7-3-1-4-8-16)19(31-22)21(26)28-14-17-9-5-2-6-10-17/h1-10H,12-15H2