diethyl 2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)propanedioate

Systemtic Name: diethyl 2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)propanedioate Openeye Name: diethyl 2-(4-amino-2-thioxo-quinazolin-3-yl)propanedioate CAS Name: 2-(4-amino-2-sulfanylidene-3-quinazolinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-amino-2-sulfanylidenequinazolin-3-yl)propanedioate Traditional Name: 2-(4-amino-2-thioxo-quinazolin-3-yl)malonic acid diethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=C2C=CC=CC2=NC1=S)N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=C2C=CC=CC2=NC1=S)N

InChI

InChI=1S/C15H17N3O4S/c1-3-21-13(19)11(14(20)22-4-2)18-12(16)9-7-5-6-8-10(9)17-15(18)23/h5-8,11H,3-4,16H2,1-2H3