O4-ethyl O2-(2-methoxyethyl) 5-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C20H24N3O7S+ MolecularWeight: 450.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-29-19(26)15-12(2)16(20(27)30-9-8-28-3)31-18(15)22-14(24)11-23-7-5-6-13(10-23)17(21)25/h5-7,10H,4,8-9,11H2,1-3H3,(H2-,21,22,24,25,26,27)/p+1