(2R)-3-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-butanoate

Systemtic Name: (2R)-3-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-butanoate Openeye Name: (2R)-3-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-butanoate CAS Name: (2R)-3-methyl-2-[(2-methyl-4-quinazolinyl)thio]butanoate IUPAC Name: (2R)-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanoate Traditional Name: (2R)-3-methyl-2-[(2-methylquinazolin-4-yl)thio]butyrate Formula: C14H15N2O2S- MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2S/c1-8(2)12(14(17)18)19-13-10-6-4-5-7-11(10)15-9(3)16-13/h4-8,12H,1-3H3,(H,17,18)/p-1/t12-/m1/s1