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

Systemtic Name: ethyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-ethoxy-2-oxo-ethyl)-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-ethoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-ethoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-ethoxy-2-keto-ethyl)-2-tosylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O6S2/c1-4-28-19(24)13-23-17-11-8-15(20(25)29-5-2)12-18(17)30-21(23)22-31(26,27)16-9-6-14(3)7-10-16/h6-12H,4-5,13H2,1-3H3/b22-21-