diethyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3O5S/c1-6-27-19(25)16-13(3)17(20(26)28-7-2)29-18(16)21-15(24)12-23-10-8-14(9-11-23)22(4)5/h8-11H,6-7,12H2,1-5H3/p+1