methyl 2-[(6-azanyl-1H-benzimidazol-2-yl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-azanyl-1H-benzimidazol-2-yl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]acetate CAS Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylthio]acetic acid methyl ester Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=NC2=C(N1)C=C(C=C2)N

Isomeric SMILES

COC(=O)CSCC1=NC2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C11H13N3O2S/c1-16-11(15)6-17-5-10-13-8-3-2-7(12)4-9(8)14-10/h2-4H,5-6,12H2,1H3,(H,13,14)