(diphenylmethyl) 3-(2-acetamidoethylsulfanyl)-7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-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-(2-acetamidoethylsulfanyl)-7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-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-(2-acetamidoethylsulfanyl)-7-[[(2E)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-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-(2-acetamidoethylthio)-7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxoethoxy]imino-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-(2-acetamidoethylsulfanyl)-7-[[(2E)-2-(2-benzhydryloxy-2-oxoethoxy)imino-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-(2-acetamidoethylthio)-7-[[(2E)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-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: C63H54N6O8S3 MolecularWeight: 1119.33326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC(=O)NCCSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C63H54N6O8S3/c1-42(70)64-37-38-78-51-41-79-60-54(59(73)69(60)55(51)61(74)77-57(45-27-13-4-14-28-45)46-29-15-5-16-30-46)66-58(72)53(68-75-39-52(71)76-56(43-23-9-2-10-24-43)44-25-11-3-12-26-44)50-40-80-62(65-50)67-63(47-31-17-6-18-32-47,48-33-19-7-20-34-48)49-35-21-8-22-36-49/h2-36,40,54,56-57,60H,37-39,41H2,1H3,(H,64,70)(H,65,67)(H,66,72)/b68-53+