ethyl 3-ethyl-2-[2-(4-methoxyphenyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-[2-(4-methoxyphenyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[2-(4-methoxyphenyl)sulfonyl-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC

InChI

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