methyl 4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-allylsulfanylbenzimidazol-1-yl)methyl]benzoate CAS Name: 4-[[2-(prop-2-enylthio)-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]benzoate Traditional Name: 4-[[2-(allylthio)benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC=C

InChI

InChI=1S/C19H18N2O2S/c1-3-12-24-19-20-16-6-4-5-7-17(16)21(19)13-14-8-10-15(11-9-14)18(22)23-2/h3-11H,1,12-13H2,2H3