[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H18N2O4S/c1-14(21(25)23-13-15-6-4-10-27-15)28-22(26)17-12-19(20-9-5-11-29-20)24-18-8-3-2-7-16(17)18/h2-12,14H,13H2,1H3,(H,23,25)