4-(3-chlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-chlorophenyl)-5-(ethylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-5-ethylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-5-(ethylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO2S/c1-4-21-15-10(3)18-9(2)13(16(19)20)14(15)11-6-5-7-12(17)8-11/h5-8,14,18H,4H2,1-3H3,(H,19,20)