2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-phenyl-1-pyrindan-3-carbonitrile Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(CCC4)C(=C3C#N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(CCC4)C(=C3C#N)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O3S/c1-33-24-13-19-11-12-31(16-20(19)14-25(24)34-2)26(32)17-35-28-22(15-29)27(18-7-4-3-5-8-18)21-9-6-10-23(21)30-28/h3-5,7-8,13-14H,6,9-12,16-17H2,1-2H3