ethyl 5-chloranyl-4-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-phenyl-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=C2)Cl)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CSC3=NC=CC=N3

InChI

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