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

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-[(4-nitrophenyl)carbamothioylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-[(4-nitrophenyl)carbamothioylamino]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-[(4-nitrophenyl)carbamothioylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-[(4-nitrophenyl)thiocarbamoylamino]pyrrolidino]quinoline-3-carboxylic acid Formula: C24H21ClFN5O5S MolecularWeight: 545.970443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)NC(=S)NC5=CC=C(C=C5)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)NC(=S)NC5=CC=C(C=C5)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C24H21ClFN5O5S/c25-19-20-16(22(32)17(23(33)34)11-30(20)14-5-6-14)9-18(26)21(19)29-8-7-13(10-29)28-24(37)27-12-1-3-15(4-2-12)31(35)36/h1-4,9,11,13-14H,5-8,10H2,(H,33,34)(H2,27,28,37)