(4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H17N3O3S/c1-13-10-19(23-16-8-4-2-6-14(13)16)28-12-20(25)27-11-18-22-17-9-5-3-7-15(17)21(26)24-18/h2-10H,11-12H2,1H3,(H,22,24,26)