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

Systemtic Name: (4R)-2-butylsulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R)-2-butylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R)-2-(butylthio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R)-2-butylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R)-2-(butylthio)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

Isomeric SMILES

CCCCSC1=C([C@H](C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

InChI

InChI=1S/C21H24N2O3S/c1-3-4-10-27-21-14(12-22)19(13-8-9-16(24)18(11-13)26-2)20-15(23-21)6-5-7-17(20)25/h8-9,11,19-20,24H,3-7,10H2,1-2H3/t19-,20?/m1/s1