ethyl 5-azanyl-4-cyano-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-quinazolinylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(quinazolin-4-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S2/c1-2-23-17(22)14-12(11(7-18)15(19)25-14)8-24-16-10-5-3-4-6-13(10)20-9-21-16/h3-6,9H,2,8,19H2,1H3