ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-acetylsulfonyl-1-oxoethyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C(=O)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C(=O)C

InChI

InChI=1S/C18H22N2O7S2/c1-4-26-9-8-20-14-7-6-13(17(23)27-5-2)10-15(14)28-18(20)19-16(22)11-29(24,25)12(3)21/h6-7,10H,4-5,8-9,11H2,1-3H3