methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H17F3N2O5S MolecularWeight: 466.43029

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O5S/c1-3-31-17(27)11-26-15-8-7-13(19(29)30-2)10-16(15)32-20(26)25-18(28)12-5-4-6-14(9-12)21(22,23)24/h4-10H,3,11H2,1-2H3