1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide Openeye Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-[2-(phenylthio)ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-N-[2-(phenylthio)ethyl]pyrrolidine-3-carboxamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)NCCSC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)NCCSC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O4S/c1-27-18-12-19(28-2)17(11-16(18)22)24-13-14(10-20(24)25)21(26)23-8-9-29-15-6-4-3-5-7-15/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,23,26)