3-azanyl-4-(dimethylcarbamoylsulfanyl)benzoate

Systemtic Name: 3-azanyl-4-(dimethylcarbamoylsulfanyl)benzoate Openeye Name: 3-amino-4-(dimethylcarbamoylsulfanyl)benzoate CAS Name: 3-amino-4-[[dimethylamino(oxo)methyl]thio]benzoate IUPAC Name: 3-amino-4-(dimethylcarbamoylsulfanyl)benzoate Traditional Name: 3-amino-4-(dimethylcarbamoylthio)benzoate Formula: C10H11N2O3S- MolecularWeight: 239.27094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)[O-])N

Isomeric SMILES

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)[O-])N

InChI

InChI=1S/C10H12N2O3S/c1-12(2)10(15)16-8-4-3-6(9(13)14)5-7(8)11/h3-5H,11H2,1-2H3,(H,13,14)/p-1