(E)-3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)but-2-enoic acid

Systemtic Name: (E)-3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)but-2-enoic acid Openeye Name: (E)-3-(6-methylsulfanyl-4-oxo-quinazolin-3-yl)but-2-enoic acid CAS Name: (E)-3-[6-(methylthio)-4-oxo-3-quinazolinyl]-2-butenoic acid IUPAC Name: (E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)but-2-enoic acid Traditional Name: (E)-3-[4-keto-6-(methylthio)quinazolin-3-yl]but-2-enoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)N1C=NC2=C(C1=O)C=C(C=C2)SC

Isomeric SMILES

C/C(=C\C(=O)O)/N1C=NC2=C(C1=O)C=C(C=C2)SC

InChI

InChI=1S/C13H12N2O3S/c1-8(5-12(16)17)15-7-14-11-4-3-9(19-2)6-10(11)13(15)18/h3-7H,1-2H3,(H,16,17)/b8-5+