ethyl 4-(furan-2-yl)-2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21N2O4S2+ MolecularWeight: 453.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=[NH+]C4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=[NH+]C4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C23H20N2O4S2/c1-3-28-23(27)21-16(18-9-6-10-29-18)12-31-22(21)25-19(26)13-30-20-11-14(2)15-7-4-5-8-17(15)24-20/h4-12H,3,13H2,1-2H3,(H,25,26)/p+1