methyl 3-methylsulfanyl-5-phenyl-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 3-methylsulfanyl-5-phenyl-1,2-thiazole-4-carboxylate Openeye Name: methyl 3-methylsulfanyl-5-phenyl-isothiazole-4-carboxylate CAS Name: 3-(methylthio)-5-phenyl-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 3-methylsulfanyl-5-phenyl-1,2-thiazole-4-carboxylate Traditional Name: 3-(methylthio)-5-phenyl-isothiazole-4-carboxylic acid methyl ester Formula: C12H11NO2S2 MolecularWeight: 265.35124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SN=C1SC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(SN=C1SC)C2=CC=CC=C2

InChI

InChI=1S/C12H11NO2S2/c1-15-12(14)9-10(17-13-11(9)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3