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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-oxobutyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23ClN2O6S2 MolecularWeight: 511.01082

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O6S2/c1-30-12-11-25-18-10-5-15(21(27)31-2)14-19(18)32-22(25)24-20(26)4-3-13-33(28,29)17-8-6-16(23)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3