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

Systemtic Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2,4-dimethyl-6-sulfanylidene-2,5-dihydropyridine-5-carbonitrile Openeye Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2,4-dimethyl-6-thioxo-2,5-dihydropyridine-5-carbonitrile CAS Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dimethyl-6-sulfanylidene-2,5-dihydropyridine-5-carbonitrile IUPAC Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dimethyl-6-sulfanylidene-2,5-dihydropyridine-5-carbonitrile Traditional Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2,4-dimethyl-6-thioxo-2,5-dihydropyridine-5-carbonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(C(=S)N1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C

Isomeric SMILES

CC1C=C(C(C(=S)N1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C

InChI

InChI=1S/C21H25N3O3S/c1-13-7-14(2)24(21(28)17(13)10-22)12-20(25)23-6-5-15-8-18(26-3)19(27-4)9-16(15)11-23/h7-9,14,17H,5-6,11-12H2,1-4H3