[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H19N3O4S/c1-11(2)17(18(24)23-20(21)26)27-19(25)13-10-15(16-8-5-9-28-16)22-14-7-4-3-6-12(13)14/h3-11,17H,1-2H3,(H3,21,23,24,26)