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

Systemtic Name: methyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S2/c1-4-28-18(23)12-22-16-10-7-14(19(24)27-3)11-17(16)29-20(22)21-30(25,26)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3/b21-20-