ethyl 4-cyano-3-methyl-5-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O3S2/c1-3-22-14(21)12-9(2)10(7-16)13(24-12)19-11(20)8-23-15-17-5-4-6-18-15/h4-6H,3,8H2,1-2H3,(H,19,20)