methyl 3-(2-methylsulfanylethyl)-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-methylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[[3-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(methylthio)benzoyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CCSC

InChI

InChI=1S/C20H20N2O3S3/c1-25-19(24)14-7-8-16-17(12-14)28-20(22(16)9-10-26-2)21-18(23)13-5-4-6-15(11-13)27-3/h4-8,11-12H,9-10H2,1-3H3