5-[[(4R)-3-cyano-5-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanylmethyl]-1H-pyrazol-3-olate

Systemtic Name: 5-[[(4R)-3-cyano-5-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanylmethyl]-1H-pyrazol-3-olate Openeye Name: 5-[[(4R)-3-cyano-5-ethoxycarbonyl-6-methyl-4-(2-thienyl)-1,4-dihydropyridin-2-yl]sulfanylmethyl]-1H-pyrazol-3-olate CAS Name: 5-[[[(4R)-3-cyano-5-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]thio]methyl]-1H-pyrazol-3-olate IUPAC Name: 5-[[(4R)-3-cyano-5-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanylmethyl]-1H-pyrazol-3-olate Traditional Name: 5-[[[(4R)-5-carbethoxy-3-cyano-6-methyl-4-(2-thienyl)-1,4-dihydropyridin-2-yl]thio]methyl]-1H-pyrazol-3-olate Formula: C18H17N4O3S2- MolecularWeight: 401.48258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC(=NN3)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CS2)C#N)SCC3=CC(=NN3)[O-])C

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/h4-7,16,20H,3,9H2,1-2H3,(H2,21,22,23)/p-1/t16-/m1/s1