(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-methyl-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-methyl-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-methyl-2-oxo-1H-quinolin-3-yl)sulfanyl]benzoate CAS Name: 2-[(4-methyl-2-oxo-1H-quinolin-3-yl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-methyl-2-oxo-1H-quinolin-3-yl)sulfanyl]benzoate Traditional Name: 2-[(2-keto-4-methyl-1H-quinolin-3-yl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC2=CC=CC=C12)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)NC2=CC=CC=C12)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H23NO4S/c1-14-15-9-5-7-11-17(15)24-21(26)20(14)29-18-12-8-6-10-16(18)22(27)28-13-19(25)23(2,3)4/h5-12H,13H2,1-4H3,(H,24,26)