O4-ethyl O2-(2-methoxyethyl) 5-(2-isoquinolin-2-ium-2-ylethanoylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-(2-isoquinolin-2-ium-2-ylethanoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(2-isoquinolin-2-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-isoquinolin-2-ium-2-ylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C23H25N2O6S+ MolecularWeight: 457.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H24N2O6S/c1-4-30-22(27)19-15(2)20(23(28)31-12-11-29-3)32-21(19)24-18(26)14-25-10-9-16-7-5-6-8-17(16)13-25/h5-10,13H,4,11-12,14H2,1-3H3/p+1