methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

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