5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,7-dihydroquinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,7-dihydroquinoline-3-carboxylic acid Openeye Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(7-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-6,7-dihydroquinoline-3-carboxylic acid CAS Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-6,7-dihydroquinoline-3-carboxylic acid IUPAC Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-6,7-dihydroquinoline-3-carboxylic acid Traditional Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(7-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-6,7-dihydroquinoline-3-carboxylic acid Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=C(S2)C3C(C(=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)N)F)O

Isomeric SMILES

C1CC(C2=C(C1)C=C(S2)C3C(C(=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)N)F)O

InChI

InChI=1S/C21H20ClFN2O4S/c22-15-13(12-6-8-2-1-3-11(26)20(8)30-12)16(23)17(24)14-18(15)25(9-4-5-9)7-10(19(14)27)21(28)29/h6-7,9,11,13,16,26H,1-5,24H2,(H,28,29)