2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-oxo-2-(1-piperidyl)ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2-keto-2-piperidino-ethyl)benzimidazol-2-yl]thio]acetic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C16H19N3O3S/c20-14(18-8-4-1-5-9-18)10-19-13-7-3-2-6-12(13)17-16(19)23-11-15(21)22/h2-3,6-7H,1,4-5,8-11H2,(H,21,22)