[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H18F3NO5S MolecularWeight: 453.43153

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N

InChI

InChI=1S/C21H18F3NO5S/c1-31-10-9-15(25)20(27)29-13-7-8-14-16(11-13)30-19(21(22,23)24)18(17(14)26)28-12-5-3-2-4-6-12/h2-8,11,15H,9-10,25H2,1H3