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

Systemtic Name: 3-methyl-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Openeye Name: 3-methyl-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoic acid CAS Name: 3-methyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid IUPAC Name: 3-methyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-methyl-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C13H14N2O3S/c1-7(2)10(12(17)18)15-11(16)8-5-3-4-6-9(8)14-13(15)19/h3-7,10H,1-2H3,(H,14,19)(H,17,18)