tert-butyl 7-[[(2E)-2-(cyanomethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(2E)-2-(cyanomethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[(2E)-2-(cyanomethoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(cyanomethoxyimino)-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(2E)-2-(cyanomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(cyanomethyloximino)-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C43H40N7O5S2+ MolecularWeight: 798.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)C(=NOCC#N)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C[N+]7=CC=CC=C7

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)/C(=N/OCC#N)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C[N+]7=CC=CC=C7

InChI

InChI=1S/C43H39N7O5S2/c1-42(2,3)55-40(53)37-34(26-49-23-14-7-15-24-49)56-28-33-36(39(52)50(33)37)46-38(51)35(48-54-25-22-44)32-27-57-41(45-32)47-43(29-16-8-4-9-17-29,30-18-10-5-11-19-30)31-20-12-6-13-21-31/h4-21,23-24,27,33,36H,25-26,28H2,1-3H3,(H-,45,46,47,51)/p+1/b48-35+