1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-azanyl-5-chloranyl-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-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-azanyl-5-chloranyl-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-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-amino-5-chloro-thiazol-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-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-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 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-amino-5-chloro-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-carboxylate Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-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 1-carbethoxyoxyethyl ester Formula: C33H32ClN5O10S3 MolecularWeight: 790.28268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(SC(=N5)N)Cl)SC

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=C(SC(=N5)N)Cl)SC

InChI

InChI=1S/C33H32ClN5O10S3/c1-4-45-33(44)48-17(2)47-31(43)25-20(50-3)16-51-30-24(29(42)39(25)30)36-28(41)23(22-27(34)52-32(35)37-22)38-46-15-21(40)49-26(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,24,26,30H,4,15-16H2,1-3H3,(H2,35,37)(H,36,41)/b38-23+