2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-phenethyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-phenethylbenzimidazol-2-yl)thio]acetic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C17H16N2O2S/c20-16(21)12-22-17-18-14-8-4-5-9-15(14)19(17)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)