N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O3S/c1-28-20-8-4-7-19(12-20)25-14-18(11-21(25)26)22(27)24-9-10-29-15-17-6-3-2-5-16(17)13-23/h2-8,12,18H,9-11,14-15H2,1H3,(H,24,27)