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

Systemtic Name: (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (4S)-6-allylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-(prop-2-enylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (4S)-6-(allylthio)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC=C)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@@H]2CC(=O)NC(=C2C#N)SCC=C)Br)O

InChI

InChI=1S/C16H15BrN2O3S/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/h3,5-6,10,21H,1,4,7H2,2H3,(H,19,20)/t10-/m0/s1