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

Systemtic Name: dimethyl (1R,5S,6R,7S)-6-methyl-5-(phenylcarbonyl)-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate Openeye Name: dimethyl (1R,5S,6R,7S)-5-benzoyl-6-methyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate CAS Name: (1R,5S,6R,7S)-5-benzoyl-6-methyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,5S,6R,7S)-5-benzoyl-6-methyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylate Traditional Name: (1R,5S,6R,7S)-5-benzoyl-6-methyl-4-thiabicyclo[3.2.0]hept-2-ene-6,7-dicarboxylic acid dimethyl ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2C1(SC=C2)C(=O)C3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@]1([C@H]([C@H]2[C@@]1(SC=C2)C(=O)C3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H18O5S/c1-17(16(21)23-3)13(15(20)22-2)12-9-10-24-18(12,17)14(19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/t12-,13+,17+,18+/m0/s1