[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

InChI

InChI=1S/C20H23NO3S/c1-12(18(22)21-20(2,3)4)24-19(23)16-11-14-10-9-13-7-5-6-8-15(13)17(14)25-16/h5-8,11-12H,9-10H2,1-4H3,(H,21,22)/t12-/m1/s1