3-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Cl)CSCCC(=O)O

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Cl)CSCCC(=O)O

InChI

InChI=1S/C12H11ClN2O3S/c13-8-1-2-10-14-9(5-11(16)15(10)6-8)7-19-4-3-12(17)18/h1-2,5-6H,3-4,7H2,(H,17,18)