(2S)-2-azaniumyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-nitrobenzoyl)sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[(4-nitrophenyl)-oxomethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-nitrobenzoyl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(4-nitrobenzoyl)thio]propionate Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SCC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC[C@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c11-8(9(13)14)5-18-10(15)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,13,14)/t8-/m1/s1