ethyl (2Z)-3-(2-methoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-methoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-methoxyethyl)-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-methoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-methoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-methoxyethyl)-2-tosylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)C)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)C)/S2)CCOC

InChI

InChI=1S/C20H22N2O5S2/c1-4-27-19(23)15-7-10-17-18(13-15)28-20(22(17)11-12-26-3)21-29(24,25)16-8-5-14(2)6-9-16/h5-10,13H,4,11-12H2,1-3H3/b21-20-