4-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-5-keto-2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C29H21ClN2O4S MolecularWeight: 529.00604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C29H21ClN2O4S/c1-29(2)12-21-26(22(33)13-29)25(16-7-9-18(30)10-8-16)20(14-31)27(32-21)37-15-23(34)19-11-17-5-3-4-6-24(17)36-28(19)35/h3-11H,12-13,15H2,1-2H3