[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-12(2)11-21-19(22)13(3)24-20(23)17-10-15-9-8-14-6-4-5-7-16(14)18(15)25-17/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,22)/t13-/m0/s1