(4-methoxyphenyl)methyl 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]sulfanyl]-7-[[(2E)-2-[2-fluoranyl-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethoxy]iminoethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]sulfanyl]-7-[[(2E)-2-[2-fluoranyl-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethoxy]iminoethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]sulfanyl]-7-[[(2E)-2-[2-fluoro-2-[2-(tritylamino)thiazol-4-yl]ethoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]thio]-7-[[(2E)-2-[2-fluoro-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethoxy]imino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]sulfanyl]-7-[[(2E)-2-[2-fluoro-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[5-(chloromethyl)-1,3-benzothiazol-2-yl]thio]-7-[[(2E)-2-[2-fluoro-2-[2-(tritylamino)thiazol-4-yl]ethyl]oximinoacetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C49H40ClFN6O6S4 MolecularWeight: 991.589903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C=NOCC(C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)F)SC8=NC9=C(S8)C=CC(=C9)CCl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)/C=N/OCC(C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)F)SC8=NC9=C(S8)C=CC(=C9)CCl

InChI

InChI=1S/C49H40ClFN6O6S4/c1-61-35-20-17-30(18-21-35)26-62-46(60)43-40(67-48-54-37-23-31(24-50)19-22-39(37)66-48)29-64-45-42(44(59)57(43)45)55-41(58)25-52-63-27-36(51)38-28-65-47(53-38)56-49(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-23,25,28,36,42,45H,24,26-27,29H2,1H3,(H,53,56)(H,55,58)/b52-25+