propyl (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-(pivaloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)(C)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H27NO3S/c1-6-9-22-16(20)14-12-8-7-11(2)10-13(12)23-15(14)19-17(21)18(3,4)5/h11H,6-10H2,1-5H3,(H,19,21)/t11-/m0/s1