(6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-acetamido-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C

InChI

InChI=1S/C13H17NO3S/c1-3-8-4-5-9-10(6-8)18-12(14-7(2)15)11(9)13(16)17/h8H,3-6H2,1-2H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1