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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-methylsulfonylphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-mesylbenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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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)S(=O)(=O)C)S2)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S3/c1-27-19(24)14-7-8-16-17(12-14)29-20(22(16)9-10-28-2)21-18(23)13-5-4-6-15(11-13)30(3,25)26/h4-8,11-12H,9-10H2,1-3H3