5-cyano-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2)C#N)C4=CC=CO4)C(=O)N

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2)C#N)C4=CC=CO4)C(=O)N

InChI

InChI=1S/C23H22N4O3S/c1-14-20(22(25)29)21(18-7-4-10-30-18)17(11-24)23(26-14)31-13-19(28)27-9-8-15-5-2-3-6-16(15)12-27/h2-7,10,21,26H,8-9,12-13H2,1H3,(H2,25,29)