sulfanyl 2-azanyl-3,5-dimethyl-benzoate

Systemtic Name: sulfanyl 2-azanyl-3,5-dimethyl-benzoate Openeye Name: sulfanyl 2-amino-3,5-dimethyl-benzoate CAS Name: 2-amino-3,5-dimethylbenzoic acid mercapto ester IUPAC Name: sulfanyl 2-amino-3,5-dimethylbenzoate Traditional Name: 2-amino-3,5-dimethyl-benzoic acid mercapto ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OS)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OS)N)C

InChI

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