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

Systemtic Name: ethyl (2Z)-3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-methoxy-2-oxo-ethyl)-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-methoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-methoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-keto-2-methoxy-ethyl)-2-tosylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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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)CC(=O)OC

Isomeric SMILES

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

InChI

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