(2R)-2-azaniumyl-3-[(Z)-N-oxidanyl-C-(phenylmethyl)carbonimidoyl]sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[(Z)-N-oxidanyl-C-(phenylmethyl)carbonimidoyl]sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-[(Z)-C-benzyl-N-hydroxy-carbonimidoyl]sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[[(1Z)-1-hydroxyimino-2-phenylethyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[(2-phenylacetohydroximoyl)thio]propionate Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=NO)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c12-9(11(14)15)7-17-10(13-16)6-8-4-2-1-3-5-8/h1-5,9,16H,6-7,12H2,(H,14,15)/b13-10-/t9-/m0/s1