N-methyl-1-(4-methylsulfanylphenyl)-N-[1-(3-nitrophenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[1-(3-nitrophenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[1-(3-nitrophenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-methyl-1-[4-(methylthio)phenyl]-N-[1-(3-nitrophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[1-(3-nitrophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-methyl-1-[4-(methylthio)phenyl]-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23N3O4S/c1-14(15-5-4-6-18(11-15)24(27)28)22(2)21(26)16-12-20(25)23(13-16)17-7-9-19(29-3)10-8-17/h4-11,14,16H,12-13H2,1-3H3