2-[3-[(2S)-3-methylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-[(2S)-3-methylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-[(1S)-1,2-dimethylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(2S)-3-methylbutan-2-yl]-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-[(2S)-3-methylbutan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[(1S)-1,2-dimethylpropyl]-4-keto-quinazolin-2-yl]thio]acetate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-9(2)10(3)17-14(20)11-6-4-5-7-12(11)16-15(17)21-8-13(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)/p-1/t10-/m0/s1