2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]propionic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C(=O)O)SC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C11H10N2O3S/c1-6(10(15)16)17-11-12-8-5-3-2-4-7(8)9(14)13-11/h2-6H,1H3,(H,15,16)(H,12,13,14)