methyl 3-(2-methoxyethyl)-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-besylbutanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S2/c1-29-13-12-24-18-11-10-16(21(26)30-2)15-19(18)31-22(24)23-20(25)9-6-14-32(27,28)17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3