methanethioyl 3-[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]-7-(diphenylmethyl)-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: methanethioyl 3-[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]-7-(diphenylmethyl)-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: methanethioyl 7-benzhydryl-3-[5-(3,4-diacetoxyphenyl)-1,3,4-oxadiazol-2-yl]-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-[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]-7-(diphenylmethyl)-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 methanethioyl ester IUPAC Name: methanethioyl 7-benzhydryl-3-[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]-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: 7-benzhydryl-3-[5-(3,4-diacetoxyphenyl)-1,3,4-oxadiazol-2-yl]-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 thioformyl ester Formula: C58H45N7O10S3 MolecularWeight: 1096.2138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=NN=C(O2)C3=C(N4C(C(C4=O)(C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C(=NOC)C7=CSC(=N7)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC3)C(=O)OC=S)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=NN=C(O2)C3=C(N4C(C(C4=O)(C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)/C(=N/OC)/C7=CSC(=N7)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC3)C(=O)OC=S)OC(=O)C

InChI

InChI=1S/C58H45N7O10S3/c1-35(66)73-45-30-29-39(31-46(45)74-36(2)67)51-62-63-52(75-51)43-32-77-55-58(54(70)65(55)49(43)53(69)72-34-76,47(37-19-9-4-10-20-37)38-21-11-5-12-22-38)60-50(68)48(64-71-3)44-33-78-56(59-44)61-57(40-23-13-6-14-24-40,41-25-15-7-16-26-41)42-27-17-8-18-28-42/h4-31,33-34,47,55H,32H2,1-3H3,(H,59,61)(H,60,68)/b64-48+