ethyl 3-prop-2-ynyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-prop-2-ynyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-prop-2-ynyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

InChI

InChI=1S/C21H15F3N2O3S/c1-3-10-26-16-9-8-14(19(28)29-4-2)12-17(16)30-20(26)25-18(27)13-6-5-7-15(11-13)21(22,23)24/h1,5-9,11-12H,4,10H2,2H3