[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C24H26N2O3S/c1-4-17-9-8-10-18(5-2)24(17)26-21(27)14-29-23(28)15-30-22-13-16(3)19-11-6-7-12-20(19)25-22/h6-13H,4-5,14-15H2,1-3H3,(H,26,27)