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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S2/c1-25-17(24)15-13(11-3-5-12(19)6-4-11)9-26-16(15)22-14(23)10-27-18-20-7-2-8-21-18/h2-9H,10H2,1H3,(H,22,23)