2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]acetate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-9(7-20-2)16-13(19)10-5-3-4-6-11(10)15-14(16)21-8-12(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)/p-1/t9-/m0/s1