methyl 2-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-amino-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-2,1,3-benzoxadiazol-4-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-amino-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate Traditional Name: 2-[(7-aminobenzofurazan-4-yl)thio]acetic acid methyl ester Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=C(C2=NON=C12)N

Isomeric SMILES

COC(=O)CSC1=CC=C(C2=NON=C12)N

InChI

InChI=1S/C9H9N3O3S/c1-14-7(13)4-16-6-3-2-5(10)8-9(6)12-15-11-8/h2-3H,4,10H2,1H3