(2S)-2-(4-oxidanidylquinazolin-2-yl)sulfanylbutanoate

Systemtic Name: (2S)-2-(4-oxidanidylquinazolin-2-yl)sulfanylbutanoate Openeye Name: (2S)-2-(4-oxidoquinazolin-2-yl)sulfanylbutanoate CAS Name: (2S)-2-[(4-oxido-2-quinazolinyl)thio]butanoate IUPAC Name: (2S)-2-(4-oxidoquinazolin-2-yl)sulfanylbutanoate Traditional Name: (2S)-2-[(4-oxidoquinazolin-2-yl)thio]butyrate Formula: C12H10N2O3S-2 MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=CC=CC=C2C(=N1)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=NC2=CC=CC=C2C(=N1)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-2-9(11(16)17)18-12-13-8-6-4-3-5-7(8)10(15)14-12/h3-6,9H,2H2,1H3,(H,16,17)(H,13,14,15)/p-2/t9-/m0/s1