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

Systemtic Name: propan-2-yl 2-(octanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(octanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxooctylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(octanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3S/c1-4-5-6-7-11-14-18(23)22-20-19(21(24)25-15(2)3)16-12-9-8-10-13-17(16)26-20/h15H,4-14H2,1-3H3,(H,22,23)