[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H25NO3S/c1-16-13-22(25-20-8-6-5-7-19(16)20)29-15-23(27)28-14-21(26)17-9-11-18(12-10-17)24(2,3)4/h5-13H,14-15H2,1-4H3