4-(2-chloranylthiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranylthiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-thienyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-3-thiophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chlorothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-thienyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClNO4S/c1-5-8(12(16)17)10(7-3-4-20-11(7)14)9(13(18)19)6(2)15-5/h3-4,10,15H,1-2H3,(H,16,17)(H,18,19)