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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-3-27-17(23)12-22-15-10-9-14(19(25)26-2)11-16(15)28-20(22)21-18(24)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3