7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[2-(diphenylmethyl)oxy-2-oxoethoxy]imino-1-oxoethyl]amino]-3-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-benzhydryloxy-2-oxoethoxy)iminoacetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-acetyl]amino]-8-keto-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H25N5O7S3 MolecularWeight: 639.7224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CSC(=N5)N)SC1)C(=O)O

Isomeric SMILES

CSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=CSC(=N5)N)SC1)C(=O)O

InChI

InChI=1S/C28H25N5O7S3/c1-41-18-14-42-26-21(25(36)33(26)22(18)27(37)38)31-24(35)20(17-13-43-28(29)30-17)32-39-12-19(34)40-23(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,21,23,26H,12,14H2,1H3,(H2,29,30)(H,31,35)(H,37,38)/b32-20+