2-[[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-2-[(4-chlorophenyl)thio]propanoyl]amino]methyl]-4-nitro-phenolate Formula: C16H14ClN2O4S- MolecularWeight: 365.81136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O4S/c1-10(24-14-5-2-12(17)3-6-14)16(21)18-9-11-8-13(19(22)23)4-7-15(11)20/h2-8,10,20H,9H2,1H3,(H,18,21)/p-1/t10-/m0/s1