7-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 7-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7-tert-butyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 7-tert-butyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H28N2O2S2 MolecularWeight: 476.65342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N2O2S2/c1-27(2,3)18-9-12-20-22(14-18)29-26(21(15-28)25(20)24-6-5-13-32-24)33-16-23(30)17-7-10-19(31-4)11-8-17/h5-8,10-11,13,18H,9,12,14,16H2,1-4H3