(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H17NO5S/c1-13-16(21(24)26-2)10-14(28-13)12-27-22(25)17-11-19(20-8-5-9-29-20)23-18-7-4-3-6-15(17)18/h3-11H,12H2,1-2H3