(4R)-4-(4-chloranylcyclohexa-2,5-dien-1-yl)-3-ethanoyl-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-4-(4-chloranylcyclohexa-2,5-dien-1-yl)-3-ethanoyl-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-4-(4-chloro-1-cyclohexa-2,5-dienyl)-2-methyl-6-(3-methylbut-2-enylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-2-methyl-6-(3-methylbut-2-enylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C20H23ClN2OS MolecularWeight: 374.92742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2C=CC(C=C2)Cl)C#N)SCC=C(C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2C=CC(C=C2)Cl)C#N)SCC=C(C)C

InChI

InChI=1S/C20H23ClN2OS/c1-12(2)9-10-25-20-17(11-22)19(15-5-7-16(21)8-6-15)18(14(4)24)13(3)23-20/h5-9,15-16,18-19H,10H2,1-4H3/t15?,16?,18?,19-/m0/s1