(2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoate

Systemtic Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoate Openeye Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoate CAS Name: (2R)-2-[(2-methyl-4-quinazolinyl)thio]butanoate IUPAC Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(2-methylquinazolin-4-yl)thio]butyrate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-3-11(13(16)17)18-12-9-6-4-5-7-10(9)14-8(2)15-12/h4-7,11H,3H2,1-2H3,(H,16,17)/p-1/t11-/m1/s1