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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-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-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylimino)-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

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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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7S2/c1-3-33-22(28)15-26-19-12-11-18(23(29)32-2)14-20(19)34-24(26)25-21(27)10-7-13-35(30,31)16-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3