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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-3-propyl-quinazolin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C20H20N4O3S2/c1-3-9-24-18(25)12-7-5-6-8-15(12)23-20(24)28-11-14-13(10-21)17(22)29-16(14)19(26)27-4-2/h5-8H,3-4,9,11,22H2,1-2H3