methyl 4-azanyl-3-methylsulfanyl-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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