methyl 4-azanyl-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-(3-methylsulfanylphenyl)-2-thioxo-thiazole-5-carboxylate CAS Name: 4-amino-3-[3-(methylthio)phenyl]-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-3-[3-(methylthio)phenyl]-2-thioxo-4-thiazoline-5-carboxylic acid methyl ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)SC)N

Isomeric SMILES

COC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)SC)N

InChI

InChI=1S/C12H12N2O2S3/c1-16-11(15)9-10(13)14(12(17)19-9)7-4-3-5-8(6-7)18-2/h3-6H,13H2,1-2H3