2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl-methyl-amino]benzoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl-methyl-amino]benzoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl-methyl-amino]benzoic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-methylamino]benzoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl-methylamino]benzoic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoyl-methyl-amino]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCSCC(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CCSCC(=O)N

InChI

InChI=1S/C13H16N2O4S/c1-15(12(17)6-7-20-8-11(14)16)10-5-3-2-4-9(10)13(18)19/h2-5H,6-8H2,1H3,(H2,14,16)(H,18,19)