methyl 3-(2-methylsulfanylethyl)-2-(4-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(4-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-methylsulfonylphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-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=C(C=C3)S(=O)(=O)C)S2)CCSC

Isomeric SMILES

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

InChI

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