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

Systemtic Name: methyl 2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(dodecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dodecanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C22H35NO3S/c1-3-4-5-6-7-8-9-10-11-16-19(24)23-21-20(22(25)26-2)17-14-12-13-15-18(17)27-21/h3-16H2,1-2H3,(H,23,24)