2-methoxy-8-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylic acid

Systemtic Name: 2-methoxy-8-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylic acid Openeye Name: 8-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylsulfanyl]-2-methoxy-quinoline-3-carboxylic acid CAS Name: 8-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylthio]-2-methoxy-3-quinolinecarboxylic acid IUPAC Name: 8-[3-(5-hydroxy-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]-2-methoxyquinoline-3-carboxylic acid Traditional Name: 8-[3-(5-hydroxy-2-phenethyl-coumaran-6-yl)propylthio]-2-methoxy-quinoline-3-carboxylic acid Formula: C30H29NO5S MolecularWeight: 515.61996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC=C(C2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C=CC=C(C2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)O

InChI

InChI=1S/C30H29NO5S/c1-35-29-24(30(33)34)16-21-9-5-11-27(28(21)31-29)37-14-6-10-20-18-26-22(17-25(20)32)15-23(36-26)13-12-19-7-3-2-4-8-19/h2-5,7-9,11,16-18,23,32H,6,10,12-15H2,1H3,(H,33,34)