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

Systemtic Name: methyl (2Z)-3-ethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-3-ethyl-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-ethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-ethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-ethyl-2-tosylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-4-20-15-10-7-13(17(21)24-3)11-16(15)25-18(20)19-26(22,23)14-8-5-12(2)6-9-14/h5-11H,4H2,1-3H3/b19-18-