(diphenylmethyl) (6R,7R)-3-[[ethyl(methyl)carbamoyl]oxymethyl]-7-[[(2Z)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-3-[[ethyl(methyl)carbamoyl]oxymethyl]-7-[[(2Z)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-3-[[ethyl(methyl)carbamoyl]oxymethyl]-7-[[(2Z)-2-hydroxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[[ethyl(methyl)amino]-oxomethoxy]methyl]-7-[[(2Z)-2-hydroxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-3-[[ethyl(methyl)carbamoyl]oxymethyl]-7-[[(2Z)-2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[ethyl(methyl)carbamoyl]oxymethyl]-7-[[(2Z)-2-hydroximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C49H44N6O7S2 MolecularWeight: 893.03966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CCN(C)C(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C49H44N6O7S2/c1-3-54(2)48(59)61-29-34-30-63-45-40(44(57)55(45)41(34)46(58)62-42(32-19-9-4-10-20-32)33-21-11-5-12-22-33)51-43(56)39(53-60)38-31-64-47(50-38)52-49(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37/h4-28,31,40,42,45,60H,3,29-30H2,1-2H3,(H,50,52)(H,51,56)/b53-39-/t40-,45-/m1/s1