4-(2-methoxyphenyl)-2-methyl-6-(propan-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)-2-methyl-6-(propan-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(isopropylsulfanylmethyl)-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-methoxyphenyl)-2-methyl-6-[(propan-2-ylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)-2-methyl-6-(propan-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[(isopropylthio)methyl]-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H23NO5S MolecularWeight: 377.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC(C)C)C(=O)O)C2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC(C)C)C(=O)O)C2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C19H23NO5S/c1-10(2)26-9-13-17(19(23)24)16(15(18(21)22)11(3)20-13)12-7-5-6-8-14(12)25-4/h5-8,10,16,20H,9H2,1-4H3,(H,21,22)(H,23,24)