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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(2-phenoxyethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6S/c1-3-28-20(26)13-24-17-11-10-15(21(27)29-4-2)12-18(17)31-22(24)23-19(25)14-30-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3