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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-benzoylimino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-benzoylimino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzoylimino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-benzoylimino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-3-27-18(24)13-23-16-11-10-15(20(26)28-4-2)12-17(16)29-21(23)22-19(25)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3