(4S,4aS)-4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aS)-4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aS)-4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aS)-4-(2-ethoxyphenyl)-2-(methylthio)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aS)-4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aS)-5-keto-2-(methylthio)-4-o-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C#N)SC)CCCC3=O

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2[C@H]3C(=NC(=C2C#N)SC)CCCC3=O

InChI

InChI=1S/C19H20N2O2S/c1-3-23-16-10-5-4-7-12(16)17-13(11-20)19(24-2)21-14-8-6-9-15(22)18(14)17/h4-5,7,10,17-18H,3,6,8-9H2,1-2H3/t17-,18-/m0/s1