(4S)-4-(4-butoxyphenyl)-5-ethanoyl-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-4-(4-butoxyphenyl)-5-ethanoyl-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-allylsulfanyl-4-(4-butoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-(prop-2-enylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(allylthio)-4-(4-butoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC=C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2C(=C(NC(=C2C(=O)C)C)SCC=C)C#N

InChI

InChI=1S/C22H26N2O2S/c1-5-7-12-26-18-10-8-17(9-11-18)21-19(14-23)22(27-13-6-2)24-15(3)20(21)16(4)25/h6,8-11,21,24H,2,5,7,12-13H2,1,3-4H3/t21-/m1/s1