1-(2-methyl-4-methylsulfanyl-butanoyl)-3,4-dihydro-2H-pyridine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-methylsulfanyl-butanoyl)-3,4-dihydro-2H-pyridine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-methylsulfanyl-butanoyl)-3,4-dihydro-2H-pyridine-2-carboxylic acid CAS Name: 1-[2-methyl-4-(methylthio)-1-oxobutyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid IUPAC Name: 1-(2-methyl-4-methylsulfanylbutanoyl)-3,4-dihydro-2H-pyridine-2-carboxylic acid Traditional Name: 1-[2-methyl-4-(methylthio)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)C(=O)N1C=CCCC1C(=O)O

Isomeric SMILES

CC(CCSC)C(=O)N1C=CCCC1C(=O)O

InChI

InChI=1S/C12H19NO3S/c1-9(6-8-17-2)11(14)13-7-4-3-5-10(13)12(15)16/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,15,16)