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

Systemtic Name: methyl 3-methyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-besylbutanoylimino)-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-22-16-11-10-14(19(24)27-2)13-17(16)28-20(22)21-18(23)9-6-12-29(25,26)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3