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

Systemtic Name: 5-azanyl-7-(7-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-6,7-dihydroquinoline-3-carboxylic acid Openeye Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-6,7-dihydroquinoline-3-carboxylic acid CAS Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-6,7-dihydroquinoline-3-carboxylic acid IUPAC Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-6,7-dihydroquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-6,7-dihydroquinoline-3-carboxylic acid Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O3S/c22-15-13(12-6-8-2-1-3-11(24)20(8)30-12)16(23)17(25)14-18(15)26(9-4-5-9)7-10(19(14)27)21(28)29/h6-7,9,11,13,16H,1-5,24-25H2,(H,28,29)