ethyl (4S)-5-cyano-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-4-isobutyl-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-4-(2-methylpropyl)-6-(phenacylthio)-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-isobutyl-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC(=O)C2=CC=CC=C2)C#N)CC(C)C

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC(=O)C2=CC=CC=C2)C#N)CC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-5-27-22(26)20-15(4)24-21(18(12-23)17(20)11-14(2)3)28-13-19(25)16-9-7-6-8-10-16/h6-10,14,17,20H,5,11,13H2,1-4H3/t17-,20?/m1/s1