7-[4,5-bis(oxidanyl)-4,5-dihydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4,5-bis(oxidanyl)-4,5-dihydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4,5-dihydroxy-4,5-dihydrobenzothiophen-2-yl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4,5-dihydroxy-4,5-dihydro-1-benzothiophen-2-yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4,5-dihydroxy-4,5-dihydro-1-benzothiophen-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,5-dihydroxy-4,5-dihydrobenzothiophen-2-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)C=CC(C5O)O

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)C=CC(C5O)O

InChI

InChI=1S/C22H19NO6S/c1-29-21-11(17-8-13-16(30-17)7-6-15(24)20(13)26)4-5-12-18(21)23(10-2-3-10)9-14(19(12)25)22(27)28/h4-10,15,20,24,26H,2-3H2,1H3,(H,27,28)