(E)-3-(3-nitro-4-sulfanyl-phenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitro-4-sulfanyl-phenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-nitro-4-sulfanyl-phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(4-mercapto-3-nitrophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-nitro-4-sulfanylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-N-[3-(2-ketopyrrolidino)propyl]-3-(4-mercapto-3-nitro-phenyl)acrylamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c20-15(17-8-2-10-18-9-1-3-16(18)21)7-5-12-4-6-14(24)13(11-12)19(22)23/h4-7,11,24H,1-3,8-10H2,(H,17,20)/b7-5+