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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H26N2O3S/c1-16-13-22(26-20-8-6-5-7-19(16)20)30-15-23(28)29-14-21(27)25-18-11-9-17(10-12-18)24(2,3)4/h5-13H,14-15H2,1-4H3,(H,25,27)