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

Systemtic Name: ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-acetylsulfonyl-1-oxoethyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-acetylsulfonylacetyl)imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H20N2O8S2 MolecularWeight: 456.49

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)C(=O)C

InChI

InChI=1S/C18H20N2O8S2/c1-4-27-16(23)9-20-13-7-6-12(17(24)28-5-2)8-14(13)29-18(20)19-15(22)10-30(25,26)11(3)21/h6-8H,4-5,9-10H2,1-3H3