2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H19F3N2O3S MolecularWeight: 460.46877

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)O

InChI

InChI=1S/C23H19F3N2O3S/c1-2-12-7-15-13(8-20(30)31-19(15)9-18(12)29)11-32-22-16(10-27)21(23(24,25)26)14-5-3-4-6-17(14)28-22/h7-9,29H,2-6,11H2,1H3