(4R)-2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-2-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-2-[[2-(3-bromophenyl)-2-oxoethyl]thio]-4-(2-furanyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-2-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-2-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C21H17BrN2O3S MolecularWeight: 457.34028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)Br)C#N)C3=CC=CO3)C(=O)C

Isomeric SMILES

CC1=C([C@H](C(=C(N1)SCC(=O)C2=CC(=CC=C2)Br)C#N)C3=CC=CO3)C(=O)C

InChI

InChI=1S/C21H17BrN2O3S/c1-12-19(13(2)25)20(18-7-4-8-27-18)16(10-23)21(24-12)28-11-17(26)14-5-3-6-15(22)9-14/h3-9,20,24H,11H2,1-2H3/t20-/m1/s1