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

Systemtic Name: 2,6-dimethyl-4-(5-nitro-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(5-nitrobenzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(5-nitro-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(5-nitro-1-benzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(5-nitrobenzothiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N2O6S/c1-7-13(16(20)21)15(14(17(22)23)8(2)18-7)11-6-26-12-4-3-9(19(24)25)5-10(11)12/h3-6,15,18H,1-2H3,(H,20,21)(H,22,23)