3-(7-chloranyl-4-methyl-6-methylsulfanyl-2-oxidanylidene-quinazolin-1-yl)propanoic acid

Systemtic Name: 3-(7-chloranyl-4-methyl-6-methylsulfanyl-2-oxidanylidene-quinazolin-1-yl)propanoic acid Openeye Name: 3-(7-chloro-4-methyl-6-methylsulfanyl-2-oxo-quinazolin-1-yl)propanoic acid CAS Name: 3-[7-chloro-4-methyl-6-(methylthio)-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-(7-chloro-4-methyl-6-methylsulfanyl-2-oxoquinazolin-1-yl)propanoic acid Traditional Name: 3-[7-chloro-2-keto-4-methyl-6-(methylthio)quinazolin-1-yl]propionic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=CC(=C(C=C12)SC)Cl)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=CC(=C(C=C12)SC)Cl)CCC(=O)O

InChI

InChI=1S/C13H13ClN2O3S/c1-7-8-5-11(20-2)9(14)6-10(8)16(13(19)15-7)4-3-12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)