[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C22H22N2O3S/c1-4-11-24(13-17-8-7-12-28-17)20(25)14-27-22(26)21-15(2)18-9-5-6-10-19(18)23-16(21)3/h4-10,12H,1,11,13-14H2,2-3H3