methyl 2-methyl-5-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 5-[(2-allylsulfanylbenzimidazol-1-yl)methyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[2-(prop-2-enylthio)-1-benzimidazolyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]furan-3-carboxylate Traditional Name: 5-[[2-(allylthio)benzimidazol-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2C3=CC=CC=C3N=C2SCC=C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2C3=CC=CC=C3N=C2SCC=C)C(=O)OC

InChI

InChI=1S/C18H18N2O3S/c1-4-9-24-18-19-15-7-5-6-8-16(15)20(18)11-13-10-14(12(2)23-13)17(21)22-3/h4-8,10H,1,9,11H2,2-3H3