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

Systemtic Name: 2,6-dimethyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-methylbenzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(2-methylbenzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C18H17NO4S/c1-8-13(17(20)21)16(14(18(22)23)9(2)19-8)15-10(3)24-12-7-5-4-6-11(12)15/h4-7,16,19H,1-3H3,(H,20,21)(H,22,23)