(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-prop-2-enylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-prop-2-enylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-(2-allylsulfanylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(prop-2-enylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-prop-2-enylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(allylthio)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H21NO3S/c1-2-14-26-20-7-4-3-6-17(20)22-21(23)11-9-16-8-10-18-19(15-16)25-13-5-12-24-18/h2-4,6-11,15H,1,5,12-14H2,(H,22,23)/b11-9+