3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c13-10(15)7-19-5-4-11(16)14-9-3-1-2-8(6-9)12(17)18/h1-3,6H,4-5,7H2,(H2,13,15)(H,14,16)(H,17,18)