7-[(4Z)-4-[(3-azanyl-3-oxidanylidene-propanoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4Z)-4-[(3-azanyl-3-oxidanylidene-propanoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4Z)-4-[(3-amino-3-oxo-propanoyl)hydrazono]-6,7-dihydro-5H-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4Z)-4-[(3-amino-1,3-dioxopropyl)hydrazinylidene]-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4Z)-4-[(3-amino-3-oxopropanoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4Z)-4-[(3-amino-3-keto-propanoyl)hydrazono]-6,7-dihydro-5H-benzothiophen-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H24N4O6S MolecularWeight: 508.54626

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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)CCCC5=NNC(=O)CC(=O)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC\5=C(S4)CCC/C5=N/NC(=O)CC(=O)N

InChI

InChI=1S/C25H24N4O6S/c1-35-24-13(7-8-14-22(24)29(12-5-6-12)11-16(23(14)32)25(33)34)19-9-15-17(3-2-4-18(15)36-19)27-28-21(31)10-20(26)30/h7-9,11-12H,2-6,10H2,1H3,(H2,26,30)(H,28,31)(H,33,34)/b27-17-