(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-26-18-20-11-13(19)14(21-18)17(24)25-15(12-7-3-2-4-8-12)16(23)22-9-5-6-10-22/h2-4,7-8,11,15H,5-6,9-10H2,1H3