2-azanyl-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(2-ethylphenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-ethylphenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H31N3O2S MolecularWeight: 461.61894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=C(OC(=C4)C)SCC)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=C(OC(=C4)C)SCC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C27H31N3O2S/c1-6-17-10-8-9-11-20(17)30-21-13-27(4,5)14-22(31)24(21)23(19(15-28)25(30)29)18-12-16(3)32-26(18)33-7-2/h8-12,23H,6-7,13-14,29H2,1-5H3