(E)-3-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]sulfanylprop-2-enoic acid

Systemtic Name: (E)-3-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]sulfanylprop-2-enoic acid Openeye Name: (E)-3-(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)sulfanylprop-2-enoic acid CAS Name: (E)-3-[[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]thio]-2-propenoic acid IUPAC Name: (E)-3-(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-[[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]thio]acrylic acid Formula: C30H29NO4S2 MolecularWeight: 531.68556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1SC=CC(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)N1CC(CC1S/C=C/C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H29NO4S2/c1-2-19-35-29(34)31-22-26(21-27(31)36-20-18-28(32)33)37-30(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-18,20,26-27H,1,19,21-22H2,(H,32,33)/b20-18+