[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)SC)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)SC)N

InChI

InChI=1S/C14H15N3O3S2/c1-8-12(13(15)22-17-8)14(19)20-7-11(18)16-9-3-5-10(21-2)6-4-9/h3-6H,7,15H2,1-2H3,(H,16,18)