ethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C20H19ClN4O3S2/c1-3-7-25-18(26)12-6-5-11(21)8-15(12)24-20(25)29-10-14-13(9-22)17(23)30-16(14)19(27)28-4-2/h5-6,8H,3-4,7,10,23H2,1-2H3