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

Systemtic Name: methyl 2-(decanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(decanoylamino)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxodecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(decanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(caprylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H41NO3S MolecularWeight: 435.66294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3S/c1-6-8-9-10-11-12-13-14-21(27)26-23-22(24(28)29-5)19-16-15-18(17-20(19)30-23)25(3,4)7-2/h18H,6-17H2,1-5H3,(H,26,27)