methyl 3-azanyl-4-methylsulfanyl-benzoate

Systemtic Name: methyl 3-azanyl-4-methylsulfanyl-benzoate Openeye Name: methyl 3-amino-4-methylsulfanyl-benzoate CAS Name: 3-amino-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-methylsulfanylbenzoate Traditional Name: 3-amino-4-(methylthio)benzoic acid methyl ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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