[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

InChI

InChI=1S/C21H25NO4S/c1-4-5-13(2)22-19(23)12-26-21(24)18-11-15-7-6-14-10-16(25-3)8-9-17(14)20(15)27-18/h8-11,13H,4-7,12H2,1-3H3,(H,22,23)