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

Systemtic Name: methyl 6-tert-butyl-2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H43NO3S MolecularWeight: 449.68952

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H43NO3S/c1-6-7-8-9-10-11-12-13-14-15-22(28)27-24-23(25(29)30-5)20-17-16-19(26(2,3)4)18-21(20)31-24/h19H,6-18H2,1-5H3,(H,27,28)