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

Systemtic Name: methyl 2-(decanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(decanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxodecylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(decanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(caprylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3S/c1-3-4-5-6-7-8-12-15-18(23)22-20-19(21(24)25-2)16-13-10-9-11-14-17(16)26-20/h3-15H2,1-2H3,(H,22,23)