1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[3-(2-phenoxyethanoylamino)-1-sulfo-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[3-(2-phenoxyethanoylamino)-1-sulfo-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[3-[(2-phenoxyacetyl)amino]-1-sulfo-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[[3-[(1-oxo-2-phenoxyethyl)amino]-1-sulfo-2-azetidinyl]thio]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[3-[(2-phenoxyacetyl)amino]-1-sulfoazetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[3-[(2-phenoxyacetyl)amino]-1-sulfo-azetidin-2-yl]thio]carbothioylpiperazino]quinoline-3-carboxylic acid Formula: C29H30FN5O8S3 MolecularWeight: 691.770603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(CN5S(=O)(=O)O)NC(=O)COC6=CC=CC=C6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(CN5S(=O)(=O)O)NC(=O)COC6=CC=CC=C6)F)C(=O)O

InChI

InChI=1S/C29H30FN5O8S3/c30-21-12-19-23(34(17-6-7-17)14-20(26(19)37)28(38)39)13-24(21)32-8-10-33(11-9-32)29(44)45-27-22(15-35(27)46(40,41)42)31-25(36)16-43-18-4-2-1-3-5-18/h1-5,12-14,17,22,27H,6-11,15-16H2,(H,31,36)(H,38,39)(H,40,41,42)