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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-3-26-19(25)17-15(14-7-5-13(2)6-8-14)11-27-18(17)23-16(24)12-28-20-21-9-4-10-22-20/h4-11H,3,12H2,1-2H3,(H,23,24)