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

Systemtic Name: methyl (4R)-6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4R)-6-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C#N)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C#N)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H18N2O5S2/c1-12-19(22(26)27-2)20(18-4-3-7-30-18)14(9-23)21(24-12)31-10-15(25)13-5-6-16-17(8-13)29-11-28-16/h3-8,20,24H,10-11H2,1-2H3/t20-/m1/s1