[4-(thiophen-2-ylcarbonylamino)phenyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C17H12ClN3O3S2 MolecularWeight: 405.87848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C17H12ClN3O3S2/c1-25-17-19-9-12(18)14(21-17)16(23)24-11-6-4-10(5-7-11)20-15(22)13-3-2-8-26-13/h2-9H,1H3,(H,20,22)