methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylimino)-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H24N2O7S2 MolecularWeight: 504.57586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O7S2/c1-31-21(27)14-25-18-11-10-17(22(28)32-2)13-19(18)33-23(25)24-20(26)9-6-12-34(29,30)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3