2-[1-(3-methylcyclohexyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methylcyclohexyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-methylcyclohexyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-methylcyclohexyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylcyclohexyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-methylcyclohexyl)benzimidazol-2-yl]thio]acetic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

CC1CCCC(C1)N2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C16H20N2O2S/c1-11-5-4-6-12(9-11)18-14-8-3-2-7-13(14)17-16(18)21-10-15(19)20/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,19,20)