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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-besylbutanoylimino)-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H24N2O7S2 MolecularWeight: 504.57586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7S2/c1-3-32-21(27)15-25-18-12-11-16(22(28)31-2)14-19(18)33-23(25)24-20(26)10-7-13-34(29,30)17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3