ethyl 6-tert-butyl-2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(dodecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(lauroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H45NO3S MolecularWeight: 463.7161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3S/c1-6-8-9-10-11-12-13-14-15-16-23(29)28-25-24(26(30)31-7-2)21-18-17-20(27(3,4)5)19-22(21)32-25/h20H,6-19H2,1-5H3,(H,28,29)