4-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]-fluoranyl-amino]-8-oxidanylidene-3-[(E)-2-[4-oxidanylidene-5-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]-fluoranyl-amino]-8-oxidanylidene-3-[(E)-2-[4-oxidanylidene-5-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]-fluoro-amino]-8-oxo-3-[(E)-2-[4-oxo-5-(trifluoromethyl)thiochromen-2-yl]sulfanylvinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]-fluoroamino]-8-oxo-3-[(E)-2-[[4-oxo-5-(trifluoromethyl)-1-benzothiopyran-2-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]-fluoroamino]-8-oxo-3-[(E)-2-[4-oxo-5-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]-fluoro-amino]-8-keto-3-[(E)-2-[[4-keto-5-(trifluoromethyl)thiochromen-2-yl]thio]vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H17F4N5O6S4 MolecularWeight: 687.685993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)N(C2C(=C(N3C(S2)CC3=O)C(=O)O)C=CSC4=CC(=O)C5=C(C=CC=C5S4)C(F)(F)F)F

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)N(C2C(=C(N3C(S2)CC3=O)C(=O)O)/C=C/SC4=CC(=O)C5=C(C=CC=C5S4)C(F)(F)F)F

InChI

InChI=1S/C25H17F4N5O6S4/c1-40-32-19(12-9-42-24(30)31-12)21(37)34(29)22-10(20(23(38)39)33-15(36)8-16(33)44-22)5-6-41-17-7-13(35)18-11(25(26,27)28)3-2-4-14(18)43-17/h2-7,9,16,22H,8H2,1H3,(H2,30,31)(H,38,39)/b6-5+,32-19+