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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

InChI

InChI=1S/C20H23NO4S/c1-3-4-9-21-18(22)12-25-20(23)17-11-14-6-5-13-10-15(24-2)7-8-16(13)19(14)26-17/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,21,22)