methyl 6-ethyl-2-(nonanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-ethyl-2-(nonanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-(nonanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-(1-oxononylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(nonanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-(pelargonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

Isomeric SMILES

CCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

InChI

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