(phenylmethyl) (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl (4R)-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C([C@@H](C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N

InChI

InChI=1S/C23H22N2O5S/c1-3-28-19(26)14-31-22-17(12-24)21(18-10-7-11-29-18)20(15(2)25-22)23(27)30-13-16-8-5-4-6-9-16/h4-11,21,25H,3,13-14H2,1-2H3/t21-/m1/s1