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

Systemtic Name: 4-(2,1,3-benzothiadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2,1,3-benzothiadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2,1,3-benzothiadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-piazthiol-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC3=NSN=C32)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC3=NSN=C32)C(=O)O

InChI

InChI=1S/C15H13N3O4S/c1-6-10(14(19)20)12(11(15(21)22)7(2)16-6)8-4-3-5-9-13(8)18-23-17-9/h3-5,12,16H,1-2H3,(H,19,20)(H,21,22)