4-[methyl-[2-(4-nitrophenyl)sulfanylethanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[2-(4-nitrophenyl)sulfanylethanoyl]amino]butanoic acid Openeye Name: 4-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 4-[methyl-[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[methyl-[2-[(4-nitrophenyl)thio]acetyl]amino]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-14(8-2-3-13(17)18)12(16)9-21-11-6-4-10(5-7-11)15(19)20/h4-7H,2-3,8-9H2,1H3,(H,17,18)