6-azanyl-7-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C22H20ClN5O3S MolecularWeight: 469.9439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl)N)C(=O)O

InChI

InChI=1S/C22H20ClN5O3S/c1-26-11-14(21(30)31)20(29)13-9-15(24)18(10-17(13)26)27-4-6-28(7-5-27)22-25-16-8-12(23)2-3-19(16)32-22/h2-3,8-11H,4-7,24H2,1H3,(H,30,31)