ethyl (4S)-5-cyano-2-methyl-6-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[(5-keto-3-pyrazolin-3-yl)methylthio]-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC2=CC(=O)NN2)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC2=CC(=O)NN2)C#N)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c1-3-25-18(24)15-10(2)20-17(27-9-11-7-14(23)22-21-11)12(8-19)16(15)13-5-4-6-26-13/h4-7,15-16H,3,9H2,1-2H3,(H2,21,22,23)/t15?,16-/m0/s1