1-(2-chloranyl-4,6-dimethyl-phenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyridine-5-carboxylic acid

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyridine-5-carboxylic acid Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyridine-5-carboxylic acid CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-6-(methylthio)-3,4-dihydro-2H-pyridine-5-carboxylic acid IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyridine-5-carboxylic acid Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-6-(methylthio)-3,4-dihydro-2H-pyridine-5-carboxylic acid Formula: C15H18ClNO2S MolecularWeight: 311.82692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N2CCCC(=C2SC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N2CCCC(=C2SC)C(=O)O)C

InChI

InChI=1S/C15H18ClNO2S/c1-9-7-10(2)13(12(16)8-9)17-6-4-5-11(15(18)19)14(17)20-3/h7-8H,4-6H2,1-3H3,(H,18,19)