7-[[(2E)-2-(5-chloranyl-2-formamido-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-(5-chloranyl-2-formamido-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-benzhydryloxy-2-oxo-ethoxy)imino-2-(5-chloro-2-formamido-thiazol-4-yl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-chloro-2-formamido-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-benzhydryloxy-2-oxoethoxy)imino-2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-2-(5-chloro-2-formamido-thiazol-4-yl)acetyl]amino]-8-keto-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H24ClN5O8S3 MolecularWeight: 702.17756

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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=C(SC(=N5)NC=O)Cl)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=C(SC(=N5)NC=O)Cl)SC1)C(=O)O

InChI

InChI=1S/C29H24ClN5O8S3/c1-44-17-13-45-27-21(26(39)35(27)22(17)28(40)41)32-25(38)20(19-24(30)46-29(33-19)31-14-36)34-42-12-18(37)43-23(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,21,23,27H,12-13H2,1H3,(H,32,38)(H,40,41)(H,31,33,36)/b34-20+