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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H16N2O3S/c1-12-9-15(14-6-2-3-7-16(14)20-12)18(22)23-11-17(21)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,21)