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

Systemtic Name: methyl (6S)-6-tert-butyl-2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-tert-butyl-2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[(3-cyclopentyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-tert-butyl-2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3CCCC3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3CCCC3

InChI

InChI=1S/C22H33NO3S/c1-22(2,3)15-10-11-16-17(13-15)27-20(19(16)21(25)26-4)23-18(24)12-9-14-7-5-6-8-14/h14-15H,5-13H2,1-4H3,(H,23,24)/t15-/m0/s1