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

Systemtic Name: methyl 2-[[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCN(CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H25N3O3S/c1-4-25(14-20(26)23-12-16-8-7-11-29-16)13-19-21(22(27)28-3)15(2)17-9-5-6-10-18(17)24-19/h5-11H,4,12-14H2,1-3H3,(H,23,26)