(6S)-3-methylsulfonyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile

Systemtic Name: (6S)-3-methylsulfonyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Openeye Name: (6S)-3-methylsulfonyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile CAS Name: (6S)-3-methylsulfonyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile IUPAC Name: (6S)-3-methylsulfonyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Traditional Name: (6S)-4-keto-3-mesyl-6-phenyl-6,7-dihydro-5H-isobenzothiophene-1-carbonitrile Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C(S1)C#N)CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C(S1)C#N)C[C@@H](CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1