ethyl (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylate CAS Name: (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Traditional Name: (3aR,7aR)-2-acetamido-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(S[C@H]2[C@@H]1CCCC2)NC(=O)C

InChI

InChI=1S/C13H19NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h9-10H,3-7H2,1-2H3,(H,14,15)/t9-,10+/m0/s1