ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(4-pyridylamino)ethyl]sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(4-pyridylamino)ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=CC=NC=C3)C

InChI

InChI=1S/C21H20N4O3S2/c1-3-28-21(27)18-13(2)24-20(15(11-22)19(18)16-5-4-10-29-16)30-12-17(26)25-14-6-8-23-9-7-14/h4-10,19,24H,3,12H2,1-2H3,(H,23,25,26)