methyl 3-[(6-azanyl-1H-benzimidazol-2-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(6-azanyl-1H-benzimidazol-2-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(6-amino-1H-benzimidazol-2-yl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(6-amino-1H-benzimidazol-2-yl)methylthio]propionic acid methyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=NC2=C(N1)C=C(C=C2)N

Isomeric SMILES

COC(=O)CCSCC1=NC2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C12H15N3O2S/c1-17-12(16)4-5-18-7-11-14-9-3-2-8(13)6-10(9)15-11/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)