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

Systemtic Name: methyl 4-(furan-2-yl)-2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H19N2O4S2+ MolecularWeight: 439.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C(=CS3)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C(=CS3)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C22H18N2O4S2/c1-13-10-19(23-16-7-4-3-6-14(13)16)29-12-18(25)24-21-20(22(26)27-2)15(11-30-21)17-8-5-9-28-17/h3-11H,12H2,1-2H3,(H,24,25)/p+1