2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N

InChI

InChI=1S/C27H31N3O4S/c1-6-18-19(13-28)26(29-20-11-27(2,3)12-21(31)25(18)20)35-15-24(32)30-8-7-16-9-22(33-4)23(34-5)10-17(16)14-30/h9-10H,6-8,11-12,14-15H2,1-5H3