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

Systemtic Name: propan-2-yl 2-(nonanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(nonanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxononylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(nonanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(pelargonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3S/c1-4-5-6-7-8-12-15-19(24)23-21-20(22(25)26-16(2)3)17-13-10-9-11-14-18(17)27-21/h16H,4-15H2,1-3H3,(H,23,24)