2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylic acid

Systemtic Name: 2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylic acid Openeye Name: 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylsulfanyl]-2-methoxy-quinoline-3-carboxylic acid CAS Name: 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylthio]-2-methoxy-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]-2-methoxyquinoline-3-carboxylic acid Traditional Name: 7-[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(=CC2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)O

InChI

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