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

Systemtic Name: methyl 3-ethylsulfanyl-5-phenyl-1,2-thiazole-4-carboxylate Openeye Name: methyl 3-ethylsulfanyl-5-phenyl-isothiazole-4-carboxylate CAS Name: 3-(ethylthio)-5-phenyl-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 3-ethylsulfanyl-5-phenyl-1,2-thiazole-4-carboxylate Traditional Name: 3-(ethylthio)-5-phenyl-isothiazole-4-carboxylic acid methyl ester Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NSC(=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCSC1=NSC(=C1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S2/c1-3-17-12-10(13(15)16-2)11(18-14-12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3