1-(4-chlorophenyl)carbonyl-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(4-chlorobenzoyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(4-chlorobenzoyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(4-chlorobenzoyl)-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophen-4-one Formula: C18H17ClO4S2 MolecularWeight: 396.90818

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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO4S2/c1-18(2)8-12-14(13(20)9-18)17(25(3,22)23)24-16(12)15(21)10-4-6-11(19)7-5-10/h4-7H,8-9H2,1-3H3