tert-butyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H16N2O3S/c1-14(2,3)19-11(17)8-20-13-15-10-7-5-4-6-9(10)12(18)16-13/h4-7H,8H2,1-3H3,(H,15,16,18)