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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H15BrN2O3S/c22-20-14-6-2-1-5-13(14)9-10-17(20)28-12-19(25)27-11-18-23-16-8-4-3-7-15(16)21(26)24-18/h1-10H,11-12H2,(H,23,24,26)