4-(2-prop-2-enylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-prop-2-enylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[(2-allylsulfanylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(prop-2-enylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-prop-2-enylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(allylthio)acetyl]amino]benzoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=CCSCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-2-7-17-8-11(14)13-10-5-3-9(4-6-10)12(15)16/h2-6H,1,7-8H2,(H,13,14)(H,15,16)