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

Systemtic Name: 2,6-dimethyl-4-(2-methylsulfanyl-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-methylsulfanylbenzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[2-(methylthio)-1-benzothiophen-3-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-methylsulfanyl-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[2-(methylthio)benzothiophen-3-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H17NO4S2 MolecularWeight: 375.46188

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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)SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S2/c1-8-12(16(20)21)15(13(17(22)23)9(2)19-8)14-10-6-4-5-7-11(10)25-18(14)24-3/h4-7,15,19H,1-3H3,(H,20,21)(H,22,23)