(diphenylmethyl) 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanylmethyl]-8-oxidanylidene-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]-3-[(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanylmethyl]-8-oxidanylidene-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]-3-[(2-methyl-6-oxo-pyran-4-yl)sulfanylmethyl]-8-oxo-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]-3-[[(2-methyl-6-oxo-4-pyranyl)thio]methyl]-8-oxo-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]-3-[(2-methyl-6-oxopyran-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[[(2-keto-6-methyl-pyran-4-yl)thio]methyl]-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: C52H43N5O7S3 MolecularWeight: 946.12212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=CC(=O)O1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C52H43N5O7S3/c1-33-28-40(29-42(58)63-33)65-30-36-31-66-49-44(48(60)57(49)45(36)50(61)64-46(34-18-8-3-9-19-34)35-20-10-4-11-21-35)54-47(59)43(56-62-2)41-32-67-51(53-41)55-52(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-29,32,44,46,49H,30-31H2,1-2H3,(H,53,55)(H,54,59)/b56-43+