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

Systemtic Name: 5-methyl-3-methylsulfanyl-1,2-thiazole-4-carboxylate Openeye Name: 5-methyl-3-methylsulfanyl-isothiazole-4-carboxylate CAS Name: 5-methyl-3-(methylthio)-4-isothiazolecarboxylate IUPAC Name: 5-methyl-3-methylsulfanyl-1,2-thiazole-4-carboxylate Traditional Name: 5-methyl-3-(methylthio)isothiazole-4-carboxylate Formula: C6H6NO2S2- MolecularWeight: 188.24734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)SC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NS1)SC)C(=O)[O-]

InChI

InChI=1S/C6H7NO2S2/c1-3-4(6(8)9)5(10-2)7-11-3/h1-2H3,(H,8,9)/p-1