ethyl (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate

Systemtic Name: ethyl (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate Openeye Name: ethyl (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate CAS Name: (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate Traditional Name: (3aS,4R,7aS)-1,3,3a,4,5,7a-hexahydroisobenzothiophene-4-carboxylic acid ethyl ester Formula: C11H16O2S MolecularWeight: 212.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=CC2C1CSC2

Isomeric SMILES

CCOC(=O)[C@@H]1CC=C[C@H]2[C@H]1CSC2

InChI

InChI=1S/C11H16O2S/c1-2-13-11(12)9-5-3-4-8-6-14-7-10(8)9/h3-4,8-10H,2,5-7H2,1H3/t8-,9-,10-/m1/s1