(E)-3-[3-[(4-ethanoylsulfanyl-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(4-ethanoylsulfanyl-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(4-acetylsulfanyl-1-allyloxycarbonyl-pyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[[4-(acetylthio)-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(4-acetylsulfanyl-1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[[4-(acetylthio)-1-allyloxycarbonyl-prolyl]amino]phenyl]acrylic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=CC=CC(=C2)C=CC(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-3-9-28-20(27)22-12-16(29-13(2)23)11-17(22)19(26)21-15-6-4-5-14(10-15)7-8-18(24)25/h3-8,10,16-17H,1,9,11-12H2,2H3,(H,21,26)(H,24,25)/b8-7+