ethyl 5-[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=[NH+]C3=C(C=CC(=C3)OC)C(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=[NH+]C3=C(C=CC(=C3)OC)C(=C2)C)C

InChI

InChI=1S/C22H24N2O4S/c1-6-28-22(26)20-13(3)21(23-14(20)4)18(25)11-29-19-9-12(2)16-8-7-15(27-5)10-17(16)24-19/h7-10,23H,6,11H2,1-5H3/p+1