(E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-phenyl-2-[4-(phenylthio)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-propenoic acid IUPAC Name: (E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-phenyl-2-[4-(phenylthio)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]acrylic acid Formula: C28H23NO2S MolecularWeight: 437.55272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(N2C1)C=CC(=O)O)C3=CC=C(C=C3)SC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C(=C(N2C1)/C=C/C(=O)O)C3=CC=C(C=C3)SC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23NO2S/c30-26(31)18-17-25-28(21-13-15-23(16-14-21)32-22-10-5-2-6-11-22)27(20-8-3-1-4-9-20)24-12-7-19-29(24)25/h1-6,8-11,13-18H,7,12,19H2,(H,30,31)/b18-17+