(4S,4aS)-2-hexylsulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aS)-2-hexylsulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S,4aS)-2-hexylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S,4aS)-2-(hexylthio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S,4aS)-2-hexylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S,4aS)-2-(hexylthio)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCCCCCSC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C#N)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C23H28N2O3S/c1-3-4-5-6-12-29-23-16(14-24)21(15-10-11-18(26)20(13-15)28-2)22-17(25-23)8-7-9-19(22)27/h8,10-11,13,16,21-22,26H,3-7,9,12H2,1-2H3/t16?,21-,22+/m1/s1