3-azanyl-4-(2-ethylsulfanylethylamino)benzoic acid

Systemtic Name: 3-azanyl-4-(2-ethylsulfanylethylamino)benzoic acid Openeye Name: 3-amino-4-(2-ethylsulfanylethylamino)benzoic acid CAS Name: 3-amino-4-[2-(ethylthio)ethylamino]benzoic acid IUPAC Name: 3-amino-4-(2-ethylsulfanylethylamino)benzoic acid Traditional Name: 3-amino-4-[2-(ethylthio)ethylamino]benzoic acid Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CCSCCNC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C11H16N2O2S/c1-2-16-6-5-13-10-4-3-8(11(14)15)7-9(10)12/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15)