2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-8-oxidanylidene-3-[[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-phenyl-ethanoic acid

Systemtic Name: 2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-8-oxidanylidene-3-[[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-phenyl-ethanoic acid Openeye Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[2-carboxyoxy-3-[[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-ethylidene]amino]oxy-2-phenyl-acetic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-[[2-carboxyoxy-3-[[[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-phenylacetic acid IUPAC Name: 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-3-[[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-phenylacetic acid Traditional Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[2-carboxyoxy-3-[[[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-keto-ethylidene]amino]oxy-2-phenyl-acetic acid Formula: C29H23N7O11S3 MolecularWeight: 741.72822

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)C(=O)O)C4=CSC(=N4)N)OC(=O)O)CSC5=NNC(=C6C=CC(=O)C(=C6)O)O5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(C3=CC=CC=C3)C(=O)O)/C4=CSC(=N4)N)OC(=O)O)CSC5=NN/C(=C/6\C=CC(=O)C(=C6)O)/O5

InChI

InChI=1S/C29H23N7O11S3/c30-27-31-15(11-49-27)18(35-47-20(26(41)42)12-4-2-1-3-5-12)21(39)32-19-23(40)36-24(46-29(43)44)14(9-48-25(19)36)10-50-28-34-33-22(45-28)13-6-7-16(37)17(38)8-13/h1-8,11,19-20,25,33,38H,9-10H2,(H2,30,31)(H,32,39)(H,41,42)(H,43,44)/b22-13-,35-18+