methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propionic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCCC(=O)OC

InChI

InChI=1S/C13H16N2O3S/c1-3-18-9-4-5-10-11(8-9)15-13(14-10)19-7-6-12(16)17-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)