1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-10-2-3-12-13(8-10)18-16(17-12)23-9-14(20)19-6-4-11(5-7-19)15(21)22/h2-3,8,11H,4-7,9H2,1H3,(H,17,18)(H,21,22)