4-[(E)-2-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[(E)-2-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Openeye Name: 4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid CAS Name: 4-[(E)-2-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid IUPAC Name: 4-[(E)-2-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Traditional Name: 4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)O)NC=CC1=CC(=NC(C1)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)CCC(C(=O)O)N/C=C/C1=CC(=NC(C1)C(=O)O)C(=O)O

InChI

InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,15H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b4-2+