methyl 1-[(E)-3-acetyloxy-2-(phenylsulfonyl)prop-2-enyl]-3-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 1-[(E)-3-acetyloxy-2-(phenylsulfonyl)prop-2-enyl]-3-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 1-[(E)-3-acetoxy-2-(benzenesulfonyl)allyl]-3-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 1-[(E)-3-acetyloxy-2-(benzenesulfonyl)prop-2-enyl]-3-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-acetyloxy-2-(benzenesulfonyl)prop-2-enyl]-3-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 1-[(E)-3-acetoxy-2-besyl-allyl]-2-keto-3-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H22O7S MolecularWeight: 406.44948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1=O)(CC(=COC(=O)C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CCCC(C1=O)(C/C(=C\OC(=O)C)/S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22O7S/c1-14-8-7-11-20(18(14)22,19(23)26-3)12-17(13-27-15(2)21)28(24,25)16-9-5-4-6-10-16/h4-6,8-10,13H,7,11-12H2,1-3H3/b17-13+