2-(aminomethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(aminomethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(aminomethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(aminomethyl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(aminomethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(aminomethyl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-8-12(15(19)20)13(9-5-3-4-6-11(9)23-2)14(16(21)22)10(7-17)18-8/h3-6,13,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)