1-cyclopropyl-8-methoxy-4-oxidanylidene-7-(7-oxidanylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-(7-oxidanylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-2-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(7-hydroxyspiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-2-yl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(7-hydroxy-2-spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(7-hydroxyspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(7-hydroxyspiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-2-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C27H29NO5S MolecularWeight: 479.58786

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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(C6(CCCCC6)CC5)O

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)C(C6(CCCCC6)CC5)O

InChI

InChI=1S/C27H29NO5S/c1-33-23-17(7-8-18-21(23)28(16-5-6-16)14-19(22(18)29)26(31)32)20-13-15-9-12-27(10-3-2-4-11-27)25(30)24(15)34-20/h7-8,13-14,16,25,30H,2-6,9-12H2,1H3,(H,31,32)