7-[3-(aminomethyl)-4-chloranyl-pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-thiophen-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)-4-chloranyl-pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-thiophen-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-4-chloro-pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2-thienyl)quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-4-chloro-1-pyrrolidinyl]-6-fluoro-4-oxo-1-thiophen-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-4-chloropyrrolidin-1-yl]-6-fluoro-4-oxo-1-thiophen-2-ylquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-4-chloro-pyrrolidino]-6-fluoro-4-keto-1-(2-thienyl)quinoline-3-carboxylic acid Formula: C19H17ClFN3O3S MolecularWeight: 421.872983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CS4)F)Cl)CN

Isomeric SMILES

C1C(C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CS4)F)Cl)CN

InChI

InChI=1S/C19H17ClFN3O3S/c20-13-9-23(7-10(13)6-22)16-5-15-11(4-14(16)21)18(25)12(19(26)27)8-24(15)17-2-1-3-28-17/h1-5,8,10,13H,6-7,9,22H2,(H,26,27)