methyl 2-methyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]amino]propanoate CAS Name: 2-methyl-2-[[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]amino]propanoate Traditional Name: 2-methyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]amino]propionic acid methyl ester Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5S/c1-15(2,13(22)25-4)17-12(21)9-5-6-11(10(7-9)20(23)24)26-14-18-16-8-19(14)3/h5-8H,1-4H3,(H,17,21)