2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]quinazoline-4-carboxylic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C20H18N2O3S/c1-11-8-12(2)17(13(3)9-11)16(23)10-26-20-21-15-7-5-4-6-14(15)18(22-20)19(24)25/h4-9H,10H2,1-3H3,(H,24,25)