[2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[[(1S)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-12(2)10-14(13-6-4-3-5-7-13)19-16(21)11-25-18(22)15-8-9-17(26-15)20(23)24/h3-9,12,14H,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1