[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC(=O)NCC3=CC=CS3)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C21H21N3O4S/c1-3-16-19(13(2)15-8-4-5-9-17(15)23-16)20(26)28-12-18(25)24-21(27)22-11-14-7-6-10-29-14/h4-10H,3,11-12H2,1-2H3,(H2,22,24,25,27)