[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H20N2O3S/c1-13(2)18-10-16(15-7-3-4-8-17(15)22-18)20(24)25-12-19(23)21-11-14-6-5-9-26-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)