(4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

InChI

InChI=1S/C27H26N2O3S/c1-27(2)13-21-25(22(30)14-27)24(18-9-11-19(32-3)12-10-18)20(15-28)26(29-21)33-16-23(31)17-7-5-4-6-8-17/h4-12,24,29H,13-14,16H2,1-3H3/t24-/m0/s1