3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoic acid CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)O

InChI

InChI=1S/C11H10N2O3S/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)12-11(13)17/h1-4H,5-6H2,(H,12,17)(H,14,15)