2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoate Openeye Name: 2-(2-isopropylquinazolin-4-yl)sulfanylacetate CAS Name: 2-[(2-propan-2-yl-4-quinazolinyl)thio]acetate IUPAC Name: 2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(2-isopropylquinazolin-4-yl)thio]acetate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-8(2)12-14-10-6-4-3-5-9(10)13(15-12)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)/p-1