diethyl 2-quinazolin-4-ylsulfanylpropanedioate

Systemtic Name: diethyl 2-quinazolin-4-ylsulfanylpropanedioate Openeye Name: diethyl 2-quinazolin-4-ylsulfanylpropanedioate CAS Name: 2-(4-quinazolinylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-quinazolin-4-ylsulfanylpropanedioate Traditional Name: 2-(quinazolin-4-ylthio)malonic acid diethyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C15H16N2O4S/c1-3-20-14(18)12(15(19)21-4-2)22-13-10-7-5-6-8-11(10)16-9-17-13/h5-9,12H,3-4H2,1-2H3