[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-9-16(10(2)21(4)20-9)19-17(23)11(3)27-18(24)15-8-12-7-13(22(25)26)5-6-14(12)28-15/h5-8,11H,1-4H3,(H,19,23)/t11-/m0/s1