(2Z)-2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: (2Z)-2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: (2Z)-2-[[3-[4-benzhydryloxy-5-[(4-methoxyphenyl)methoxy]-1-oxido-pyridin-1-ium-2-yl]isoxazol-5-yl]methoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetic acid CAS Name: (2Z)-2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxido-2-pyridin-1-iumyl]-5-isoxazolyl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid IUPAC Name: (2Z)-2-[[3-[4-benzhydryloxy-5-[(4-methoxyphenyl)methoxy]-1-oxidopyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: (2Z)-2-[[3-(4-benzhydryloxy-1-oxido-5-p-anisyloxy-pyridin-1-ium-2-yl)isoxazol-5-yl]methyloximino]-2-[2-(tritylamino)thiazol-4-yl]acetic acid Formula: C54H43N5O8S MolecularWeight: 922.01292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=C[N+](=C(C=C2OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=NOC(=C5)CON=C(C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)COC2=C[N+](=C(C=C2OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=NOC(=C5)CO/N=C(/C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)\C(=O)O)[O-]

InChI

InChI=1S/C54H43N5O8S/c1-63-43-29-27-37(28-30-43)34-64-49-33-59(62)47(32-48(49)66-51(38-17-7-2-8-18-38)39-19-9-3-10-20-39)45-31-44(67-57-45)35-65-58-50(52(60)61)46-36-68-53(55-46)56-54(40-21-11-4-12-22-40,41-23-13-5-14-24-41)42-25-15-6-16-26-42/h2-33,36,51H,34-35H2,1H3,(H,55,56)(H,60,61)/b58-50-