1-cyclopropyl-8-methoxy-4-oxidanylidene-7-(5-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-(5-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(5-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(5-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(5-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(5-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-28-21-14(18-9-11-8-13(24)4-7-17(11)29-18)5-6-15-19(21)23(12-2-3-12)10-16(20(15)25)22(26)27/h5-6,9-10,12-13,24H,2-4,7-8H2,1H3,(H,26,27)