[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-30-22-24-13-17(23)20(26-22)21(28)29-14-19(27)25-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,13,18H,12,14H2,1H3,(H,25,27)