dimethyl (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylate

Systemtic Name: dimethyl (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylate Openeye Name: dimethyl (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylate CAS Name: (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylate Traditional Name: (2S,3R,3aR)-3,3a-dihydro-2H-cyclohepta[b]thiophene-2,3-dicarboxylic acid dimethyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2C=CC=CC=C2SC1C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1[C@H]2C=CC=CC=C2S[C@@H]1C(=O)OC

InChI

InChI=1S/C13H14O4S/c1-16-12(14)10-8-6-4-3-5-7-9(8)18-11(10)13(15)17-2/h3-8,10-11H,1-2H3/t8-,10-,11-/m0/s1