pentanamide; 3-(pyridin-4-ylmethylsulfanyl)propanoic acid

Systemtic Name: pentanamide; 3-(pyridin-4-ylmethylsulfanyl)propanoic acid Openeye Name: pentanamide; 3-(4-pyridylmethylsulfanyl)propanoic acid CAS Name: pentanamide; 3-(pyridin-4-ylmethylthio)propanoic acid IUPAC Name: pentanamide; 3-(pyridin-4-ylmethylsulfanyl)propanoic acid Traditional Name: 3-(4-pyridylmethylthio)propionic acid; valeramide Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N.C1=CN=CC=C1CSCCC(=O)O

Isomeric SMILES

CCCCC(=O)N.C1=CN=CC=C1CSCCC(=O)O

InChI

InChI=1S/C9H11NO2S.C5H11NO/c11-9(12)3-6-13-7-8-1-4-10-5-2-8;1-2-3-4-5(6)7/h1-2,4-5H,3,6-7H2,(H,11,12);2-4H2,1H3,(H2,6,7)