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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-3-10-20-18(21)12(2)23-19(22)16-11-14-9-8-13-6-4-5-7-15(13)17(14)24-16/h4-7,11-12H,3,8-10H2,1-2H3,(H,20,21)/t12-/m0/s1