sodium 7-[4-[C-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylsulfanyl]carbonimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: sodium 7-[4-[C-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylsulfanyl]carbonimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: sodium 7-[4-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylsulfanylcarbonimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: sodium 7-[4-[[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethylthio]-iminomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: sodium 7-[4-[C-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylsulfanyl]carbonimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: sodium 7-[4-[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethylthio]carbonimidoyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C30H34FN5NaO7S2+ MolecularWeight: 682.738433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCCSC(=N)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)O)C(C)O.[Na+]

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCCSC(=N)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)O)C(C)O.[Na+]

InChI

InChI=1S/C30H34FN5O7S2.Na/c1-14-23-22(15(2)37)27(39)36(23)24(29(42)43)26(14)44-9-10-45-30(32)34-7-5-33(6-8-34)21-12-20-17(11-19(21)31)25(38)18(28(40)41)13-35(20)16-3-4-16;/h11-16,22-23,32,37H,3-10H2,1-2H3,(H,40,41)(H,42,43);/q;+1