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

Systemtic Name: ethyl 5-azanyl-3-[(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-3-[[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C21H22N4O3S2/c1-4-12(3)25-19(26)13-8-6-7-9-16(13)24-21(25)29-11-15-14(10-22)18(23)30-17(15)20(27)28-5-2/h6-9,12H,4-5,11,23H2,1-3H3