methyl 2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxoundecylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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