(2R)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoate

Systemtic Name: (2R)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoate Openeye Name: (2R)-2-(2-isopropylquinazolin-4-yl)sulfanylpropanoate CAS Name: (2R)-2-[(2-propan-2-yl-4-quinazolinyl)thio]propanoate IUPAC Name: (2R)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(2-isopropylquinazolin-4-yl)thio]propionate Formula: C14H15N2O2S- MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C14H16N2O2S/c1-8(2)12-15-11-7-5-4-6-10(11)13(16-12)19-9(3)14(17)18/h4-9H,1-3H3,(H,17,18)/p-1/t9-/m1/s1