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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17F3N2O3S2 MolecularWeight: 454.48579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CCSC

InChI

InChI=1S/C20H17F3N2O3S2/c1-28-18(27)13-6-7-15-16(11-13)30-19(25(15)8-9-29-2)24-17(26)12-4-3-5-14(10-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3