2-(5-methyl-1-prop-2-enyl-benzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-methyl-1-prop-2-enyl-benzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-allyl-5-methyl-benzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(5-methyl-1-prop-2-enyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-allyl-5-methyl-benzimidazol-2-yl)thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=N2)SCC(=O)O)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)SCC(=O)O)CC=C

InChI

InChI=1S/C13H14N2O2S/c1-3-6-15-11-5-4-9(2)7-10(11)14-13(15)18-8-12(16)17/h3-5,7H,1,6,8H2,2H3,(H,16,17)