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

Systemtic Name: ethyl 5-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H17N3O3S2/c1-2-25-18(24)14-11-15(13-7-4-3-5-8-13)27-17(14)22-16(23)12-26-19-20-9-6-10-21-19/h3-11H,2,12H2,1H3,(H,22,23)