5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-cyano-4-(4-hydroxyphenyl)-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-cyano-4-(4-hydroxyphenyl)-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C14H12N2O3S/c1-7-11(14(18)19)12(10(6-15)13(20)16-7)8-2-4-9(17)5-3-8/h2-5,12,16-17,20H,1H3,(H,18,19)