methyl 4-azanyl-3-sulfanyl-benzoate

Systemtic Name: methyl 4-azanyl-3-sulfanyl-benzoate Openeye Name: methyl 4-amino-3-sulfanyl-benzoate CAS Name: 4-amino-3-mercaptobenzoic acid methyl ester IUPAC Name: methyl 4-amino-3-sulfanylbenzoate Traditional Name: 4-amino-3-mercapto-benzoic acid methyl ester Formula: C8H9NO2S MolecularWeight: 183.22756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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