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

Systemtic Name: ethyl 5-phenyl-2-(2-pyridin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[2-(2-pyridylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyridinylthio)propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(2-pyridin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[2-(2-pyridylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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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=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c1-3-26-21(25)16-13-17(15-9-5-4-6-10-15)28-20(16)23-19(24)14(2)27-18-11-7-8-12-22-18/h4-14H,3H2,1-2H3,(H,23,24)