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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-12(2)10-20-17(21)11-23-19(22)16-9-14-8-7-13-5-3-4-6-15(13)18(14)24-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21)