(5-ethanoyl-2-methoxy-phenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C22H24N2O4S/c1-4-11-24-19-8-6-5-7-18(19)23-22(24)29-14-21(26)28-13-17-12-16(15(2)25)9-10-20(17)27-3/h5-10,12H,4,11,13-14H2,1-3H3