ethyl 7-methoxy-6-oxidanyl-2-(phenylsulfanylmethyl)-5-(piperidin-1-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-methoxy-6-oxidanyl-2-(phenylsulfanylmethyl)-5-(piperidin-1-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 6-hydroxy-7-methoxy-2-(phenylsulfanylmethyl)-5-(1-piperidylmethyl)quinoline-3-carboxylate CAS Name: 6-hydroxy-7-methoxy-2-[(phenylthio)methyl]-5-(1-piperidinylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-methoxy-2-(phenylsulfanylmethyl)-5-(piperidin-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 6-hydroxy-7-methoxy-2-[(phenylthio)methyl]-5-(piperidinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCCC3)O)OC)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCCC3)O)OC)CSC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c1-3-32-26(30)20-14-19-21(16-28-12-8-5-9-13-28)25(29)24(31-2)15-22(19)27-23(20)17-33-18-10-6-4-7-11-18/h4,6-7,10-11,14-15,29H,3,5,8-9,12-13,16-17H2,1-2H3