(2R)-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-2-oxidanyl-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]propanamide

Systemtic Name: (2R)-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-2-oxidanyl-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]propanamide Openeye Name: (2R)-2-hydroxy-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide CAS Name: (2R)-2-hydroxy-3-[(4-isothiocyanatophenyl)thio]-2-methyl-N-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]propanamide IUPAC Name: (2R)-2-hydroxy-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide Traditional Name: (2R)-2-hydroxy-3-[(4-isothiocyanatophenyl)thio]-N-[2-keto-4-(trifluoromethyl)chromen-7-yl]-2-methyl-propionamide Formula: C21H15F3N2O4S2 MolecularWeight: 480.48001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O

Isomeric SMILES

C[C@](CSC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O

InChI

InChI=1S/C21H15F3N2O4S2/c1-20(29,10-32-14-5-2-12(3-6-14)25-11-31)19(28)26-13-4-7-15-16(21(22,23)24)9-18(27)30-17(15)8-13/h2-9,29H,10H2,1H3,(H,26,28)/t20-/m0/s1