3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)propanoic acid

Systemtic Name: 3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)propanoic acid Openeye Name: 3-(6-methylsulfanyl-4-oxo-quinazolin-3-yl)propanoic acid CAS Name: 3-[6-(methylthio)-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)propanoic acid Traditional Name: 3-[4-keto-6-(methylthio)quinazolin-3-yl]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-18-8-2-3-10-9(6-8)12(17)14(7-13-10)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)