ethyl 4-(2-chlorophenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H16ClN3O3S2/c1-2-26-18(25)16-13(12-6-3-4-7-14(12)20)10-27-17(16)23-15(24)11-28-19-21-8-5-9-22-19/h3-10H,2,11H2,1H3,(H,23,24)