4-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)thio]propanoyl]amino]benzoate Formula: C15H12N3O5S- MolecularWeight: 346.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)[O-])SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)[O-])SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-9(24-13-7-6-12(8-16-13)18(22)23)14(19)17-11-4-2-10(3-5-11)15(20)21/h2-9H,1H3,(H,17,19)(H,20,21)/p-1/t9-/m0/s1