methyl 3-azanyl-4-cyano-5-(2-cyanoethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-cyano-5-(2-cyanoethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-cyano-5-[(2-cyanoacetyl)amino]thiophene-2-carboxylate CAS Name: 3-amino-4-cyano-5-[(2-cyano-1-oxoethyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-cyano-5-[(2-cyanoacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-amino-4-cyano-5-[(2-cyanoacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C10H8N4O3S MolecularWeight: 264.26052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)NC(=O)CC#N)C#N)N

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)NC(=O)CC#N)C#N)N

InChI

InChI=1S/C10H8N4O3S/c1-17-10(16)8-7(13)5(4-12)9(18-8)14-6(15)2-3-11/h2,13H2,1H3,(H,14,15)