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

Systemtic Name: 2-[(2-butan-2-yl-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(5-hydroxy-3-oxo-2-sec-butyl-1,2-dihydropyrrol-4-yl)sulfanyl]acetamide CAS Name: 2-[(2-butan-2-yl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2-butan-2-yl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(2-hydroxy-4-keto-5-sec-butyl-2-pyrrolin-3-yl)thio]acetamide Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3S/c1-3-11(2)14-15(21)16(17(22)19-14)23-10-13(20)18-9-12-7-5-4-6-8-12/h4-8,11,14,19,22H,3,9-10H2,1-2H3,(H,18,20)