(4S)-4-(2-chlorophenyl)-3-ethanoyl-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-4-(2-chlorophenyl)-3-ethanoyl-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C23H19ClN2O2S MolecularWeight: 422.92716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19ClN2O2S/c1-14-21(15(2)27)22(17-10-6-7-11-19(17)24)18(12-25)23(26-14)29-13-20(28)16-8-4-3-5-9-16/h3-11,21-22H,13H2,1-2H3/t21?,22-/m1/s1