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

Systemtic Name: 7-(5-azido-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-azido-4-oxo-6,7-dihydro-5H-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-azido-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-azido-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-azido-4-keto-6,7-dihydro-5H-benzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H18N4O5S MolecularWeight: 450.46712

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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)N=[N+]=[N-]

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(C5=O)N=[N+]=[N-]

InChI

InChI=1S/C22H18N4O5S/c1-31-21-11(17-8-13-16(32-17)7-6-15(20(13)28)24-25-23)4-5-12-18(21)26(10-2-3-10)9-14(19(12)27)22(29)30/h4-5,8-10,15H,2-3,6-7H2,1H3,(H,29,30)