ethyl 5-azanyl-4-cyano-3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H16N4O2S2 MolecularWeight: 348.44314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC(=C2)C)C

InChI

InChI=1S/C15H16N4O2S2/c1-4-21-15(20)13-11(10(6-16)14(17)23-13)7-22-12-5-8(2)18-9(3)19-12/h5H,4,7,17H2,1-3H3