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

Systemtic Name: ethyl (6S)-6-ethyl-2-(undecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-ethyl-2-(undecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-ethyl-2-(1-oxoundecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-ethyl-2-(undecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-ethyl-2-(undecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC(=O)NC1=C(C2=C(S1)C[C@H](CC2)CC)C(=O)OCC

InChI

InChI=1S/C24H39NO3S/c1-4-7-8-9-10-11-12-13-14-21(26)25-23-22(24(27)28-6-3)19-16-15-18(5-2)17-20(19)29-23/h18H,4-17H2,1-3H3,(H,25,26)/t18-/m0/s1