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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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