[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(3-isopropoxypropylamino)-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-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

InChI

InChI=1S/C22H27NO5S/c1-14(2)27-10-4-9-23-20(24)13-28-22(25)19-12-16-6-5-15-11-17(26-3)7-8-18(15)21(16)29-19/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24)