2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-(piperonylthio)-6,8-dihydroquinoline-3-carbonitrile Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC3=CC4=C(C=C3)OCO4)C#N)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC3=CC4=C(C=C3)OCO4)C#N)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H24N2O4S/c1-27(2)11-20-25(21(30)12-27)24(17-5-7-18(31-3)8-6-17)19(13-28)26(29-20)34-14-16-4-9-22-23(10-16)33-15-32-22/h4-10H,11-12,14-15H2,1-3H3