6-azanyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid CAS Name: 6-amino-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-2-keto-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(C(=O)NC(=C2C(=O)O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(C(=O)NC(=C2C(=O)O)N)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-22-7-4-2-6(3-5-7)8-9(13(18)19)11(15)16-12(17)10(8)14(20)21/h2-5,8,10H,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)