methyl 3-azanyl-2-methylsulfanyl-benzoate

Systemtic Name: methyl 3-azanyl-2-methylsulfanyl-benzoate Openeye Name: methyl 3-amino-2-methylsulfanyl-benzoate CAS Name: 3-amino-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-methylsulfanylbenzoate Traditional Name: 3-amino-2-(methylthio)benzoic acid methyl ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)SC

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)SC

InChI

InChI=1S/C9H11NO2S/c1-12-9(11)6-4-3-5-7(10)8(6)13-2/h3-5H,10H2,1-2H3