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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)22-19(25)21-16(23)11-26-18(24)15-10-13-9-8-12-6-4-5-7-14(12)17(13)27-15/h4-7,10H,8-9,11H2,1-3H3,(H2,21,22,23,25)