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

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C21H22N2O3S/c1-4-17-14(2)20(16-7-5-6-8-18(16)22-17)21(25)26-12-19(24)23(3)11-15-9-10-27-13-15/h5-10,13H,4,11-12H2,1-3H3