N-(2-hydroxyethyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-hydroxyethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidine-2-carboxamide CAS Name: N-(2-hydroxyethyl)-3-mercapto-5-oxo-1-[(4-phenoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-hydroxyethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-sulfanylpyrrolidine-2-carboxamide Traditional Name: N-(2-hydroxyethyl)-5-keto-3-mercapto-1-(4-phenoxybenzyl)pyrrolidine-2-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCCO)S

Isomeric SMILES

C1C(C(N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCCO)S

InChI

InChI=1S/C20H22N2O4S/c23-11-10-21-20(25)19-17(27)12-18(24)22(19)13-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,17,19,23,27H,10-13H2,(H,21,25)