tert-butyl (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4R)-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(=CN1)C(=O)OC(C)(C)C)C2=CC=CS2)C#N

Isomeric SMILES

CCOC(=O)CSC1=C([C@@H](C(=CN1)C(=O)OC(C)(C)C)C2=CC=CS2)C#N

InChI

InChI=1S/C19H22N2O4S2/c1-5-24-15(22)11-27-17-12(9-20)16(14-7-6-8-26-14)13(10-21-17)18(23)25-19(2,3)4/h6-8,10,16,21H,5,11H2,1-4H3/t16-/m0/s1