butyl 2-(dodecanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-(dodecanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(dodecanoylamino)benzothiophene-3-carboxylate CAS Name: 2-(1-oxododecylamino)-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(dodecanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(lauroylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)OCCCC

InChI

InChI=1S/C25H37NO3S/c1-3-5-7-8-9-10-11-12-13-18-22(27)26-24-23(25(28)29-19-6-4-2)20-16-14-15-17-21(20)30-24/h14-17H,3-13,18-19H2,1-2H3,(H,26,27)