5-(3-azanyl-1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-[2-(sulfinoamino)pyrrolidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5-(3-azanyl-1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-[2-(sulfinoamino)pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5-[2-amino-3-hydroxy-1-(methylsulfanylmethyl)-3-oxo-propyl]-1-cyclopropyl-6-fluoro-4-oxo-2-[2-(sulfinoamino)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 5-[3-amino-4-hydroxy-1-(methylthio)-4-oxobutan-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-2-[2-(sulfinoamino)-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-(3-amino-4-hydroxy-1-methylsulfanyl-4-oxobutan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-2-[2-(sulfinoamino)pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 5-[2-amino-3-hydroxy-3-keto-1-[(methylthio)methyl]propyl]-1-cyclopropyl-6-fluoro-4-keto-2-[2-(sulfinoamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C22H27FN4O7S2 MolecularWeight: 542.600783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C1=C(C=CC2=C1C(=O)C(=C(N2C3CC3)N4CCCC4NS(=O)O)C(=O)O)F)C(C(=O)O)N

Isomeric SMILES

CSCC(C1=C(C=CC2=C1C(=O)C(=C(N2C3CC3)N4CCCC4NS(=O)O)C(=O)O)F)C(C(=O)O)N

InChI

InChI=1S/C22H27FN4O7S2/c1-35-9-11(18(24)22(31)32)15-12(23)6-7-13-16(15)19(28)17(21(29)30)20(27(13)10-4-5-10)26-8-2-3-14(26)25-36(33)34/h6-7,10-11,14,18,25H,2-5,8-9,24H2,1H3,(H,29,30)(H,31,32)(H,33,34)