4-(2-methylsulfanylphenyl)-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2-methylsulfanylphenyl)-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-methylsulfanylphenyl)-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-[2-(methylthio)phenyl]-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-methylsulfanylphenyl)-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-[2-(methylthio)phenyl]-6-(propoxymethyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C=C(N1)COCCC)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CCCC1=C(C(C=C(N1)COCCC)C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C20H27NO3S/c1-4-8-17-19(20(22)23)16(12-14(21-17)13-24-11-5-2)15-9-6-7-10-18(15)25-3/h6-7,9-10,12,16,21H,4-5,8,11,13H2,1-3H3,(H,22,23)