(6R)-6-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile

Systemtic Name: (6R)-6-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Openeye Name: (6R)-3-benzylsulfanyl-6-(4-methoxyphenyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile CAS Name: (6R)-6-(4-methoxyphenyl)-4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile IUPAC Name: (6R)-3-benzylsulfanyl-6-(4-methoxyphenyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Traditional Name: (6R)-3-(benzylthio)-4-keto-6-(4-methoxyphenyl)-6,7-dihydro-5H-isobenzothiophene-1-carbonitrile Formula: C23H19NO2S2 MolecularWeight: 405.53246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(SC(=C3C(=O)C2)SCC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC3=C(SC(=C3C(=O)C2)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19NO2S2/c1-26-18-9-7-16(8-10-18)17-11-19-21(13-24)28-23(22(19)20(25)12-17)27-14-15-5-3-2-4-6-15/h2-10,17H,11-12,14H2,1H3/t17-/m1/s1