[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-pyrrolidinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pyrrolidine-2-carboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(N(C1)C2=NC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3S/c24-16-8-10-17(11-9-16)32-20-7-2-1-5-18(20)27-21(29)15-31-22(30)19-6-3-14-28(19)23-25-12-4-13-26-23/h1-2,4-5,7-13,19H,3,6,14-15H2,(H,27,29)