4-[[[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: 4-[[[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: 4-[[[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: 4-[[[[[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: 4-[[[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: 4-[[[[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)NCC5C=C(N6C(S5)C(C6=O)NC(=O)CC7=CC=CS7)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)NCC5C=C(N6C(S5)C(C6=O)NC(=O)CC7=CC=CS7)C(=O)O)F)C(=O)O

InChI

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