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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-furyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-(2-furanyl)-4-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[2-(2-furyl)quinazolin-4-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H16N4O3S2 MolecularWeight: 436.50674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H16N4O3S2/c1-2-27-21(26)17-14(13(10-22)18(23)30-17)11-29-20-12-6-3-4-7-15(12)24-19(25-20)16-8-5-9-28-16/h3-9H,2,11,23H2,1H3