ethyl 5-phenyl-2-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[2-(2-pyrimidylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CC=N3

InChI

InChI=1S/C20H19N3O3S2/c1-3-26-19(25)15-12-16(14-8-5-4-6-9-14)28-18(15)23-17(24)13(2)27-20-21-10-7-11-22-20/h4-13H,3H2,1-2H3,(H,23,24)