4-[[4-azanyl-5-[3-[2,4-bis(fluoranyl)-5-[(3-methoxyphenyl)carbonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]carbamoyloxy]benzoic acid

Systemtic Name: 4-[[4-azanyl-5-[3-[2,4-bis(fluoranyl)-5-[(3-methoxyphenyl)carbonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]carbamoyloxy]benzoic acid Openeye Name: 4-[[4-amino-5-[3-[2,4-difluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]thiazol-2-yl]carbamoyloxy]benzoic acid CAS Name: 4-[[[4-amino-5-[3-[2,4-difluoro-5-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]-2-thiazolyl]amino]-oxomethoxy]benzoic acid IUPAC Name: 4-[[4-amino-5-[3-[2,4-difluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]carbamoyloxy]benzoic acid Traditional Name: 4-[[4-amino-5-[3-[2,4-difluoro-5-(m-anisoylamino)phenyl]-1,2,4-oxadiazol-5-yl]thiazol-2-yl]carbamoyloxy]benzoic acid Formula: C27H18F2N6O7S MolecularWeight: 608.529626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C(=C2)C3=NOC(=N3)C4=C(N=C(S4)NC(=O)OC5=CC=C(C=C5)C(=O)O)N)F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C(=C2)C3=NOC(=N3)C4=C(N=C(S4)NC(=O)OC5=CC=C(C=C5)C(=O)O)N)F)F

InChI

InChI=1S/C27H18F2N6O7S/c1-40-15-4-2-3-13(9-15)23(36)31-19-10-16(17(28)11-18(19)29)22-33-24(42-35-22)20-21(30)32-26(43-20)34-27(39)41-14-7-5-12(6-8-14)25(37)38/h2-11H,30H2,1H3,(H,31,36)(H,37,38)(H,32,34,39)