[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-10(2)21-16(6-7-19-21)20-17(23)11(3)27-18(24)15-9-12-8-13(22(25)26)4-5-14(12)28-15/h4-11H,1-3H3,(H,20,23)/t11-/m0/s1