tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-4-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-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[2-(tert-butoxycarbonylamino)ethylthio]-8-keto-7-[[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C43H48N6O7S3 MolecularWeight: 857.07222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C43H48N6O7S3/c1-41(2,3)55-37(52)34-38(57-24-23-44-40(53)56-42(4,5)6)58-26-31-33(36(51)49(31)34)46-35(50)32(48-54-7)30-25-59-39(45-30)47-43(27-17-11-8-12-18-27,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,25,31,33H,23-24,26H2,1-7H3,(H,44,53)(H,45,47)(H,46,50)/b48-32+