4-(3-methoxy-4-oxidanyl-phenyl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(3-methoxy-4-oxidanyl-phenyl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-(4-hydroxy-3-methoxy-phenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-2-(methylthio)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-(methylthio)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N)O

InChI

InChI=1S/C18H18N2O3S/c1-23-15-8-10(6-7-13(15)21)16-11(9-19)18(24-2)20-12-4-3-5-14(22)17(12)16/h6-8,16,20-21H,3-5H2,1-2H3