ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidenequinazolin-3-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidenequinazolin-3-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxoquinazolin-3-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-oxo-3-quinazolinyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxoquinazolin-3-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-ketoquinazolin-3-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H14N4O3S/c1-2-24-17(23)14-12(11(7-18)15(19)25-14)8-21-9-20-13-6-4-3-5-10(13)16(21)22/h3-6,9H,2,8,19H2,1H3