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

Systemtic Name: (4S,4aR)-4-(4-ethoxyphenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aR)-4-(4-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aR)-4-(4-ethoxyphenyl)-2-(methylthio)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aR)-4-(4-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aR)-5-keto-2-(methylthio)-4-p-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=C(C=C1)C2C3C(=NC(=C2C#N)SC)CCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-3-23-13-9-7-12(8-10-13)17-14(11-20)19(24-2)21-15-5-4-6-16(22)18(15)17/h7-10,17-18H,3-6H2,1-2H3/t17-,18+/m0/s1