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

Systemtic Name: (4R,4aR)-2-ethylsulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R,4aR)-2-ethylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R,4aR)-2-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R,4aR)-2-ethylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R,4aR)-2-(ethylthio)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

Isomeric SMILES

CCSC1=C([C@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

InChI

InChI=1S/C19H20N2O3S/c1-3-25-19-12(10-20)17(11-7-8-14(22)16(9-11)24-2)18-13(21-19)5-4-6-15(18)23/h7-9,17-18,22H,3-6H2,1-2H3/t17-,18-/m1/s1