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

Systemtic Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-5-isopropylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-(propan-2-ylthio)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-chlorophenyl)-5-(isopropylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C17H20ClNO2S MolecularWeight: 337.8642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)SC(C)C)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)SC(C)C)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H20ClNO2S/c1-9(2)22-16-11(4)19-10(3)14(17(20)21)15(16)12-7-5-6-8-13(12)18/h5-9,15,19H,1-4H3,(H,20,21)