methyl 3-[4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)quinazolin-3-yl]propanoate Openeye Name: methyl 3-(2-acetonylsulfanyl-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-[4-oxo-2-(2-oxopropylthio)-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-(2-oxopropylsulfanyl)quinazolin-3-yl]propanoate Traditional Name: 3-[2-(acetonylthio)-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C15H16N2O4S/c1-10(18)9-22-15-16-12-6-4-3-5-11(12)14(20)17(15)8-7-13(19)21-2/h3-6H,7-9H2,1-2H3