2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-29-19-9-6-16(11-18(19)24(27)28)13-30-14-20(25)22-12-15-4-7-17(8-5-15)23-10-2-3-21(23)26/h4-9,11H,2-3,10,12-14H2,1H3,(H,22,25)