methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[(4-cyano-5-methyl-isothiazol-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-cyano-5-methyl-3-isothiazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-cyano-5-methyl-isothiazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N

InChI

InChI=1S/C14H12N2O2S2/c1-9-12(7-15)13(16-20-9)19-8-10-5-3-4-6-11(10)14(17)18-2/h3-6H,8H2,1-2H3