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

Systemtic Name: 7-[3-(acetamidomethyl)-4-chloranyl-pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-thiophen-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-[3-(acetamidomethyl)-4-chloro-pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2-thienyl)quinoline-3-carboxylic acid CAS Name: 7-[3-(acetamidomethyl)-4-chloro-1-pyrrolidinyl]-6-fluoro-4-oxo-1-thiophen-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(acetamidomethyl)-4-chloropyrrolidin-1-yl]-6-fluoro-4-oxo-1-thiophen-2-ylquinoline-3-carboxylic acid Traditional Name: 7-[3-(acetamidomethyl)-4-chloro-pyrrolidino]-6-fluoro-4-keto-1-(2-thienyl)quinoline-3-carboxylic acid Formula: C21H19ClFN3O4S MolecularWeight: 463.909663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CN(CC1Cl)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CS4)F

Isomeric SMILES

CC(=O)NCC1CN(CC1Cl)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CS4)F

InChI

InChI=1S/C21H19ClFN3O4S/c1-11(27)24-7-12-8-25(10-15(12)22)18-6-17-13(5-16(18)23)20(28)14(21(29)30)9-26(17)19-3-2-4-31-19/h2-6,9,12,15H,7-8,10H2,1H3,(H,24,27)(H,29,30)