2-(8-methylsulfanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl)propanoic acid

Systemtic Name: 2-(8-methylsulfanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl)propanoic acid Openeye Name: 2-(8-methylsulfanyl-11-oxo-pyrido[2,1-b]quinazolin-2-yl)propanoic acid CAS Name: 2-[8-(methylthio)-11-oxo-2-pyrido[2,1-b]quinazolinyl]propanoic acid IUPAC Name: 2-(8-methylsulfanyl-11-oxopyrido[2,1-b]quinazolin-2-yl)propanoic acid Traditional Name: 2-[11-keto-8-(methylthio)pyrido[2,1-b]quinazolin-2-yl]propionic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)SC)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)SC)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-9(16(20)21)10-3-5-13-12(7-10)15(19)18-8-11(22-2)4-6-14(18)17-13/h3-9H,1-2H3,(H,20,21)