(E)-N-[4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-pyrrolidin-1-yl]butyl]-3-pyridin-3-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-pyrrolidin-1-yl]butyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-[4-(2,5-dioxo-3-phenylsulfanyl-pyrrolidin-1-yl)butyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-[4-[2,5-dioxo-3-(phenylthio)-1-pyrrolidinyl]butyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[4-(2,5-dioxo-3-phenylsulfanylpyrrolidin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-[4-[2,5-diketo-3-(phenylthio)pyrrolidino]butyl]-3-(3-pyridyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCCCNC(=O)C=CC2=CN=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(C1=O)CCCCNC(=O)/C=C/C2=CN=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c26-20(11-10-17-7-6-12-23-16-17)24-13-4-5-14-25-21(27)15-19(22(25)28)29-18-8-2-1-3-9-18/h1-3,6-12,16,19H,4-5,13-15H2,(H,24,26)/b11-10+