1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[(methylthio)methyl]-2-furoyl]nipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-19-8-10-4-5-11(18-10)12(15)14-6-2-3-9(7-14)13(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)