ethyl 1-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)isonipecotic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

InChI

InChI=1S/C22H25NO4S/c1-3-27-22(25)14-8-10-23(11-9-14)21(24)19-13-16-5-4-15-12-17(26-2)6-7-18(15)20(16)28-19/h6-7,12-14H,3-5,8-11H2,1-2H3