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

Systemtic Name: ethyl (3aS,5R,7aS)-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate Openeye Name: ethyl (3aS,5R,7aS)-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate CAS Name: (3aS,5R,7aS)-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,5R,7aS)-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene-4-carboxylate Traditional Name: (3aS,5R,7aS)-5-methyl-1,3,3a,4,5,7a-hexahydroisobenzothiophene-4-carboxylic acid ethyl ester Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C=CC2C1CSC2)C

Isomeric SMILES

CCOC(=O)C1[C@@H](C=C[C@H]2[C@H]1CSC2)C

InChI

InChI=1S/C12H18O2S/c1-3-14-12(13)11-8(2)4-5-9-6-15-7-10(9)11/h4-5,8-11H,3,6-7H2,1-2H3/t8-,9-,10-,11?/m1/s1