6-azanyl-2-ethoxy-4-(4-methyl-2-sulfanyl-phenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-2-ethoxy-4-(4-methyl-2-sulfanyl-phenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-2-ethoxy-4-(4-methyl-2-sulfanyl-phenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 6-amino-2-ethoxy-4-(2-mercapto-4-methylphenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-2-ethoxy-4-(4-methyl-2-sulfanylphenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-2-ethoxy-4-(2-mercapto-4-methyl-phenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C(C1C(=O)O)C2=C(C=C(C=C2)C)S)C(=O)O)N

Isomeric SMILES

CCOC1=NC(=C(C(C1C(=O)O)C2=C(C=C(C=C2)C)S)C(=O)O)N

InChI

InChI=1S/C16H18N2O5S/c1-3-23-14-12(16(21)22)10(11(15(19)20)13(17)18-14)8-5-4-7(2)6-9(8)24/h4-6,10,12,24H,3,17H2,1-2H3,(H,19,20)(H,21,22)