methyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

COC(=O)CCSCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O3S/c1-18-12(16)6-7-19-8-11-14-10-5-3-2-4-9(10)13(17)15-11/h2-5H,6-8H2,1H3,(H,14,15,17)