[[(2E)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino] ester IUPAC Name: [[(2E)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino] 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(iodomethyl)-5,8-diketo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-(2-tert-butoxy-2-keto-1,1-dimethyl-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] ester Formula: C40H40IN5O8S2 MolecularWeight: 909.80877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NOC(=O)C5=C(CS(=O)C6N5C(=O)C6)CI

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=C(\C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NOC(=O)C5=C(CS(=O)C6N5C(=O)C6)CI

InChI

InChI=1S/C40H40IN5O8S2/c1-38(2,3)52-36(50)39(4,5)54-44-32(34(48)45-53-35(49)33-25(22-41)24-56(51)31-21-30(47)46(31)33)29-23-55-37(42-29)43-40(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,23,31H,21-22,24H2,1-5H3,(H,42,43)(H,45,48)/b44-32+