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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-thienyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-methyl-4-(3-thiophenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-methyl-4-(3-thienyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)C5=CSC=C5

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)C5=CSC=C5

InChI

InChI=1S/C27H28N4O3S2/c1-30-7-5-22-21(14-30)26(18-6-9-35-15-18)20(12-28)27(29-22)36-16-25(32)31-8-4-17-10-23(33-2)24(34-3)11-19(17)13-31/h6,9-11,15H,4-5,7-8,13-14,16H2,1-3H3