methyl 2-(dodecanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(dodecanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(dodecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dodecanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(lauroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl 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)CC)C(=O)OC

Isomeric SMILES

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

InChI

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