3-(acetyloxymethyl)-7-[[(2E)-2-[3-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[[(2E)-2-[3-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[(2E)-2-(1-tert-butoxycarbonyl-3-chloro-cyclobutoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[(2E)-2-[3-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]cyclobutyl]oxyimino-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 IUPAC Name: 3-(acetyloxymethyl)-7-[[(2E)-2-[3-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[(2E)-2-(1-tert-butoxycarbonyl-3-chloro-cyclobutyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C43H42ClN5O9S2 MolecularWeight: 872.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC3(CC(C3)Cl)C(=O)OC(C)(C)C)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC3(CC(C3)Cl)C(=O)OC(C)(C)C)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC1)C(=O)O

InChI

InChI=1S/C43H42ClN5O9S2/c1-25(50)56-22-26-23-59-37-33(36(52)49(37)34(26)38(53)54)46-35(51)32(48-58-42(20-30(44)21-42)39(55)57-41(2,3)4)31-24-60-40(45-31)47-43(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,24,30,33,37H,20-23H2,1-4H3,(H,45,47)(H,46,51)(H,53,54)/b48-32+