(4S)-2-ethylsulfanyl-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-ethylsulfanyl-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-2-ethylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-2-(ethylthio)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-ethylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-2-(ethylthio)-5-keto-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(C1C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC2

Isomeric SMILES

CCSC1=NC2=C([C@@H](C1C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC2

InChI

InChI=1S/C21H24N2O4S/c1-5-28-21-13(11-22)18(19-14(23-21)7-6-8-15(19)24)12-9-16(25-2)20(27-4)17(10-12)26-3/h9-10,13,18H,5-8H2,1-4H3/t13?,18-/m1/s1