(diphenylmethyl) 3-[(4-chloranyl-5-oxidanylidene-2H-furan-3-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-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) 3-[(4-chloranyl-5-oxidanylidene-2H-furan-3-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-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 3-[(4-chloro-5-oxo-2H-furan-3-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[(4-chloro-5-oxo-2H-furan-3-yl)thio]methyl]-7-[[(2E)-2-methoxyimino-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 3-[(4-chloro-5-oxo-2H-furan-3-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-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: 3-[[(4-chloro-5-keto-2H-furan-3-yl)thio]methyl]-8-keto-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: C50H40ClN5O7S3 MolecularWeight: 954.5299

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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)CSC7=C(C(=O)OC7)Cl)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)CSC7=C(C(=O)OC7)Cl)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C50H40ClN5O7S3/c1-61-55-40(37-30-66-49(52-37)54-50(34-21-11-4-12-22-34,35-23-13-5-14-24-35)36-25-15-6-16-26-36)44(57)53-41-45(58)56-42(33(29-65-46(41)56)28-64-38-27-62-47(59)39(38)51)48(60)63-43(31-17-7-2-8-18-31)32-19-9-3-10-20-32/h2-26,30,41,43,46H,27-29H2,1H3,(H,52,54)(H,53,57)/b55-40+