(4R)-4-(4-bromophenyl)-3-ethanoyl-6-(2-ethoxyethylsulfanyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-4-(4-bromophenyl)-3-ethanoyl-6-(2-ethoxyethylsulfanyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-4-(4-bromophenyl)-6-(2-ethoxyethylsulfanyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-4-(4-bromophenyl)-6-(2-ethoxyethylthio)-2-methyl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-4-(4-bromophenyl)-6-(2-ethoxyethylsulfanyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-4-(4-bromophenyl)-6-(2-ethoxyethylthio)-2-methyl-3,4-dihydropyridine-5-carbonitrile Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=C(C(C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCOCCSC1=C([C@H](C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C19H21BrN2O2S/c1-4-24-9-10-25-19-16(11-21)18(14-5-7-15(20)8-6-14)17(13(3)23)12(2)22-19/h5-8,17-18H,4,9-10H2,1-3H3/t17?,18-/m1/s1