3-[[[2-[(3-carboxy-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)-pyrrolidin-3-yl-amino]-2-oxidanylidene-ethyl]sulfanylcarbothioylamino]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[[2-[(3-carboxy-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)-pyrrolidin-3-yl-amino]-2-oxidanylidene-ethyl]sulfanylcarbothioylamino]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[[2-[(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)-pyrrolidin-3-yl-amino]-2-oxo-ethyl]sulfanylcarbothioylamino]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[[[2-[(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-(3-pyrrolidinyl)amino]-2-oxoethyl]thio]-sulfanylidenemethyl]amino]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[[2-[(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)-pyrrolidin-3-ylamino]-2-oxoethyl]sulfanylcarbothioylamino]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[[2-[(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)-pyrrolidin-3-yl-amino]-2-keto-ethyl]thio]carbothioylamino]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C34H32ClFN6O8S4 MolecularWeight: 835.364683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N(C4CCNC4)C(=O)CSC(=S)NCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N(C4CCNC4)C(=O)CSC(=S)NCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)O)F)C(=O)O

InChI

InChI=1S/C34H32ClFN6O8S4/c35-24-27-19(29(45)20(32(47)48)12-40(27)16-3-4-16)9-21(36)28(24)41(17-5-6-37-11-17)23(44)14-54-34(51)38-10-15-13-53-31-25(30(46)42(31)26(15)33(49)50)39-22(43)8-18-2-1-7-52-18/h1-2,7,9,12,16-17,25,31,37H,3-6,8,10-11,13-14H2,(H,38,51)(H,39,43)(H,47,48)(H,49,50)