4-[(6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)benzonitrile CAS Name: 4-[(6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)benzonitrile Traditional Name: 4-(4-keto-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonyl)benzonitrile Formula: C19H17NO4S2 MolecularWeight: 387.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H17NO4S2/c1-19(2)8-13-15(14(21)9-19)18(26(3,23)24)25-17(13)16(22)12-6-4-11(10-20)5-7-12/h4-7H,8-9H2,1-3H3