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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=CC=C3)OC)C#N)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=CC=C3)OC)C#N)C4=CC=CS4

InChI

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