(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H14N4O7S2 MolecularWeight: 438.43496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7S2/c1-29(24,25)11-2-3-12(13(6-11)20(22)23)17-7-15(21)26-8-14-18-16(19-27-14)10-4-5-28-9-10/h2-6,9,17H,7-8H2,1H3