(4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-(propylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-(propylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CCCSC1=C([C@@H](CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

InChI

InChI=1S/C16H17BrN2O3S/c1-3-4-23-16-11(8-18)10(7-14(20)19-16)9-5-12(17)15(21)13(6-9)22-2/h5-6,10,21H,3-4,7H2,1-2H3,(H,19,20)/t10-/m0/s1