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

Systemtic Name: propyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C25H41NO3S MolecularWeight: 435.66294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3S/c1-4-6-7-8-9-10-11-12-13-14-22(27)26-24-23(25(28)29-17-5-2)20-16-15-19(3)18-21(20)30-24/h19H,4-18H2,1-3H3,(H,26,27)