2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H24N2O5S/c1-28(2)11-20-26(21(31)12-28)25(16-4-7-18(33-3)8-5-16)19(13-29)27(30-20)36-14-22(32)17-6-9-23-24(10-17)35-15-34-23/h4-10H,11-12,14-15H2,1-3H3