7-[2-[(3-azanyl-1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-[(3-azanyl-1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-[[2-amino-3-hydroxy-1-(methylsulfanylmethyl)-3-oxo-propyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-[[3-amino-4-hydroxy-1-(methylthio)-4-oxobutan-2-yl]amino]-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-[(3-amino-4-hydroxy-1-methylsulfanyl-4-oxobutan-2-yl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-[[2-amino-3-hydroxy-3-keto-1-[(methylthio)methyl]propyl]amino]pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H26F2N4O5S MolecularWeight: 496.527446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(C(=O)O)N)NC1CCCN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CSCC(C(C(=O)O)N)NC1CCCN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H26F2N4O5S/c1-34-9-14(17(25)22(32)33)26-15-3-2-6-27(15)19-13(23)7-11-18(16(19)24)28(10-4-5-10)8-12(20(11)29)21(30)31/h7-8,10,14-15,17,26H,2-6,9,25H2,1H3,(H,30,31)(H,32,33)