dimethyl (1S,5S,6R,7S)-6,7-dimethyl-5-(phenylcarbonyl)-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate

Systemtic Name: dimethyl (1S,5S,6R,7S)-6,7-dimethyl-5-(phenylcarbonyl)-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate Openeye Name: dimethyl (1S,5S,6R,7S)-5-benzoyl-6,7-dimethyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate CAS Name: (1S,5S,6R,7S)-5-benzoyl-6,7-dimethyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,5S,6R,7S)-5-benzoyl-6,7-dimethyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate Traditional Name: (1S,5S,6R,7S)-5-benzoyl-6,7-dimethyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylic acid dimethyl ester Formula: C19H20O5S MolecularWeight: 360.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C=CSC2(C1(C)C(=O)OC)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@@]1([C@@H]2C=CS[C@@]2([C@@]1(C)C(=O)OC)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H20O5S/c1-17(15(21)23-3)13-10-11-25-19(13,18(17,2)16(22)24-4)14(20)12-8-6-5-7-9-12/h5-11,13H,1-4H3/t13-,17+,18-,19+/m0/s1