(diphenylmethyl) 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(5-oxidanylidene-2H-furan-3-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(5-oxidanylidene-2H-furan-3-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-3-[(5-oxo-2H-furan-3-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-[(5-oxo-2H-furan-3-yl)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-[(5-oxo-2H-furan-3-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(5-keto-2H-furan-3-yl)methylthio]-7-[[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C50H41N5O7S3 MolecularWeight: 920.08484

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)SCC7=CC(=O)OC7)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)SCC7=CC(=O)OC7)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C50H41N5O7S3/c1-60-54-41(38-30-65-49(51-38)53-50(35-21-11-4-12-22-35,36-23-13-5-14-24-36)37-25-15-6-16-26-37)45(57)52-42-46(58)55-43(39(31-64-47(42)55)63-29-32-27-40(56)61-28-32)48(59)62-44(33-17-7-2-8-18-33)34-19-9-3-10-20-34/h2-27,30,42,44,47H,28-29,31H2,1H3,(H,51,53)(H,52,57)/b54-41+