propan-2-yl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxododecylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C25H41NO3S MolecularWeight: 435.66294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC(C)C

InChI

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