1-cyclopropyl-7-[5-(hydroxymethyl)-6,7-dihydro-1-benzothiophen-2-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-6,7-dihydro-1-benzothiophen-2-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-6,7-dihydrobenzothiophen-2-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-6,7-dihydro-1-benzothiophen-2-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-6,7-dihydro-1-benzothiophen-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-(5-methylol-6,7-dihydrobenzothiophen-2-yl)quinoline-3-carboxylic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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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)CCC(=C5)CO

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(=C5)CO

InChI

InChI=1S/C23H21NO5S/c1-29-22-15(19-9-13-8-12(11-25)2-7-18(13)30-19)5-6-16-20(22)24(14-3-4-14)10-17(21(16)26)23(27)28/h5-6,8-10,14,25H,2-4,7,11H2,1H3,(H,27,28)