2-[[5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-hydroxy-3-oxo-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(5-benzyl-2-hydroxy-4-keto-2-pyrrolin-3-yl)thio]-N-phenethyl-acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=C(NC(C2=O)CC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=C(NC(C2=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O3S/c24-18(22-12-11-15-7-3-1-4-8-15)14-27-20-19(25)17(23-21(20)26)13-16-9-5-2-6-10-16/h1-10,17,23,26H,11-14H2,(H,22,24)