8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-(methanethioylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-(methanethioylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-(methanethioylamino)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-(methanethioylamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-(methanethioylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-(thioformylamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C18H17ClFN3O3S MolecularWeight: 409.862283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)NC=S)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)NC=S)F)C(=O)O

InChI

InChI=1S/C18H17ClFN3O3S/c19-14-15-11(17(24)12(18(25)26)7-23(15)10-1-2-10)5-13(20)16(14)22-4-3-9(6-22)21-8-27/h5,7-10H,1-4,6H2,(H,21,27)(H,25,26)