methyl 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate

Systemtic Name: methyl 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate Openeye Name: methyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]propanoate CAS Name: 3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate Traditional Name: 3,3,3-trifluoro-2-[(5-nosylthiazol-2-yl)amino]-2-(p-anisoylamino)propionic acid methyl ester Formula: C21H17F3N4O8S2 MolecularWeight: 574.50689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N4O8S2/c1-35-14-7-3-12(4-8-14)17(29)26-20(18(30)36-2,21(22,23)24)27-19-25-11-16(37-19)38(33,34)15-9-5-13(6-10-15)28(31)32/h3-11H,1-2H3,(H,25,27)(H,26,29)