(phenylmethyl) 2-[[4-cyano-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-cyano-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[3-(2-benzyloxy-2-oxo-ethyl)sulfanyl-4-cyano-isothiazol-5-yl]sulfanylacetate CAS Name: 2-[[4-cyano-3-[(2-oxo-2-phenylmethoxyethyl)thio]-5-isothiazolyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate Traditional Name: 2-[[3-[(2-benzoxy-2-keto-ethyl)thio]-4-cyano-isothiazol-5-yl]thio]acetic 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(C(=NS2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=NS2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

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