3-(4-methyl-6-methylsulfanyl-2-oxidanylidene-quinazolin-1-yl)propanoic acid

Systemtic Name: 3-(4-methyl-6-methylsulfanyl-2-oxidanylidene-quinazolin-1-yl)propanoic acid Openeye Name: 3-(4-methyl-6-methylsulfanyl-2-oxo-quinazolin-1-yl)propanoic acid CAS Name: 3-[4-methyl-6-(methylthio)-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-(4-methyl-6-methylsulfanyl-2-oxoquinazolin-1-yl)propanoic acid Traditional Name: 3-[2-keto-4-methyl-6-(methylthio)quinazolin-1-yl]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=C1C=C(C=C2)SC)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=C1C=C(C=C2)SC)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8-10-7-9(19-2)3-4-11(10)15(13(18)14-8)6-5-12(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)