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

Systemtic Name: ethyl 5-chloranyl-4-phenyl-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-phenyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-phenyl-2-[[2-(2-pyridylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H17ClN2O3S2 MolecularWeight: 432.94358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O3S2/c1-2-26-20(25)17-16(13-8-4-3-5-9-13)18(21)28-19(17)23-14(24)12-27-15-10-6-7-11-22-15/h3-11H,2,12H2,1H3,(H,23,24)