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

Systemtic Name: ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-acetylsulfonyl-1-oxoethyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-acetylsulfonylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C(=O)C)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C(=O)C)S2)CCOC

InChI

InChI=1S/C17H20N2O7S2/c1-4-26-16(22)12-5-6-13-14(9-12)27-17(19(13)7-8-25-3)18-15(21)10-28(23,24)11(2)20/h5-6,9H,4,7-8,10H2,1-3H3