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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2-pyrimidinylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-pyrimidylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CC=N2

InChI

InChI=1S/C13H12N4O2S2/c1-2-19-12(18)10-9(8(6-14)11(15)21-10)7-20-13-16-4-3-5-17-13/h3-5H,2,7,15H2,1H3