2-methyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(4-mercaptophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-mercaptophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

InChI

InChI=1S/C14H13NO4S/c1-7-11(14(18)19)12(10(6-15-7)13(16)17)8-2-4-9(20)5-3-8/h2-6,12,15,20H,1H3,(H,16,17)(H,18,19)