4-azanyl-3-methylsulfanyl-benzoate

Systemtic Name: 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoate IUPAC Name: 4-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoate Formula: C8H8NO2S- MolecularWeight: 182.21962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO2S/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1