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

Systemtic Name: 1-cyclopropyl-7-(6,7-dihydro-1-benzothiophen-2-yl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(6,7-dihydrobenzothiophen-2-yl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(6,7-dihydro-1-benzothiophen-2-yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(6,7-dihydro-1-benzothiophen-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(6,7-dihydrobenzothiophen-2-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H19NO4S MolecularWeight: 393.45556

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S/c1-27-21-14(18-10-12-4-2-3-5-17(12)28-18)8-9-15-19(21)23(13-6-7-13)11-16(20(15)24)22(25)26/h2,4,8-11,13H,3,5-7H2,1H3,(H,25,26)