(4R)-4-(3-methoxy-4-oxidanyl-phenyl)-2-(2-methylprop-2-enylsulfanyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4R)-4-(3-methoxy-4-oxidanyl-phenyl)-2-(2-methylprop-2-enylsulfanyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R)-4-(4-hydroxy-3-methoxy-phenyl)-2-(2-methylallylsulfanyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R)-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methylprop-2-enylthio)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R)-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methylprop-2-enylsulfanyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-(2-methylallylthio)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

Isomeric SMILES

CC(=C)CSC1=C([C@H](C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

InChI

InChI=1S/C21H22N2O3S/c1-12(2)11-27-21-14(10-22)19(13-7-8-16(24)18(9-13)26-3)20-15(23-21)5-4-6-17(20)25/h7-9,19-20,24H,1,4-6,11H2,2-3H3/t19-,20?/m1/s1