ethyl 7-methoxy-6-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-methoxy-6-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 6-hydroxy-7-methoxy-2-(2-pyridylsulfanylmethyl)-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate CAS Name: 6-hydroxy-7-methoxy-2-[(2-pyridinylthio)methyl]-5-(1-pyrrolidinylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-methoxy-2-(pyridin-2-ylsulfanylmethyl)-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 6-hydroxy-7-methoxy-2-[(2-pyridylthio)methyl]-5-(pyrrolidinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCC3)O)OC)CSC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCC3)O)OC)CSC4=CC=CC=N4

InChI

InChI=1S/C24H27N3O4S/c1-3-31-24(29)17-12-16-18(14-27-10-6-7-11-27)23(28)21(30-2)13-19(16)26-20(17)15-32-22-8-4-5-9-25-22/h4-5,8-9,12-13,28H,3,6-7,10-11,14-15H2,1-2H3