diethyl 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[[6-(ethylthio)-4-quinazolinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-(ethylthio)quinazolin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)SCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)SCC)C(=O)OCC

InChI

InChI=1S/C18H21N3O4S/c1-4-24-17(22)14(18(23)25-5-2)10-19-16-13-9-12(26-6-3)7-8-15(13)20-11-21-16/h7-11H,4-6H2,1-3H3,(H,19,20,21)