4-[2,3-bis(chloranyl)phenyl]-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2,3-dichlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2,3-dichlorophenyl)-5-(ethylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2,3-dichlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2,3-dichlorophenyl)-5-(ethylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C16H17Cl2NO2S MolecularWeight: 358.28268

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)O)C)C

Isomeric SMILES

CCSC1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)O)C)C

InChI

InChI=1S/C16H17Cl2NO2S/c1-4-22-15-9(3)19-8(2)12(16(20)21)13(15)10-6-5-7-11(17)14(10)18/h5-7,13,19H,4H2,1-3H3,(H,20,21)