dimethyl 3-methyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N2O5S2+ MolecularWeight: 445.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C21H20N2O5S2/c1-11-9-16(22-14-8-6-5-7-13(11)14)29-10-15(24)23-19-17(20(25)27-3)12(2)18(30-19)21(26)28-4/h5-9H,10H2,1-4H3,(H,23,24)/p+1