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

Systemtic Name: ethyl 2-[(6-azanyl-1H-benzimidazol-2-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]acetate CAS Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylthio]acetic acid ethyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-2-17-12(16)7-18-6-11-14-9-4-3-8(13)5-10(9)15-11/h3-5H,2,6-7,13H2,1H3,(H,14,15)