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

Systemtic Name: methyl 2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-cyclopentyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3CCCC3

InChI

InChI=1S/C18H25NO3S/c1-22-18(21)16-13-8-4-5-9-14(13)23-17(16)19-15(20)11-10-12-6-2-3-7-12/h12H,2-11H2,1H3,(H,19,20)