[2-oxidanylidene-3-(pyridin-2-ylsulfanylmethyl)-4-(trifluoromethyl)chromen-7-yl] propanoate

Systemtic Name: [2-oxidanylidene-3-(pyridin-2-ylsulfanylmethyl)-4-(trifluoromethyl)chromen-7-yl] propanoate Openeye Name: [2-oxo-3-(2-pyridylsulfanylmethyl)-4-(trifluoromethyl)chromen-7-yl] propanoate CAS Name: propanoic acid [2-oxo-3-[(2-pyridinylthio)methyl]-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(pyridin-2-ylsulfanylmethyl)-4-(trifluoromethyl)chromen-7-yl] propanoate Traditional Name: propionic acid [2-keto-3-[(2-pyridylthio)methyl]-4-(trifluoromethyl)chromen-7-yl] ester Formula: C19H14F3NO4S MolecularWeight: 409.37897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CSC3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CSC3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H14F3NO4S/c1-2-16(24)26-11-6-7-12-14(9-11)27-18(25)13(17(12)19(20,21)22)10-28-15-5-3-4-8-23-15/h3-9H,2,10H2,1H3