[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H13Cl2N3O3S MolecularWeight: 386.25302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C15H13Cl2N3O3S/c1-8(13(21)19-10-5-3-9(16)4-6-10)23-14(22)12-11(17)7-18-15(20-12)24-2/h3-8H,1-2H3,(H,19,21)