[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC2=C(S1)CCC(C2)C(C)(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC2=C(S1)CC[C@H](C2)C(C)(C)C

InChI

InChI=1S/C18H27NO3S/c1-6-19-16(20)11(2)22-17(21)15-10-12-9-13(18(3,4)5)7-8-14(12)23-15/h10-11,13H,6-9H2,1-5H3,(H,19,20)/t11-,13+/m0/s1