2-[5-[[2,4-bis(fluoranyl)-5-prop-2-enoxycarbonyl-phenyl]carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[[2,4-bis(fluoranyl)-5-prop-2-enoxycarbonyl-phenyl]carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2,4-difluoro-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[2,4-difluoro-5-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2,4-difluoro-5-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2,4-difluoro-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C21H21F2N2O6S- MolecularWeight: 467.463046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-]

Isomeric SMILES

C=CCOC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-]

InChI

InChI=1S/C21H22F2N2O6S/c1-3-5-30-20(28)13-9-16(15(23)10-14(13)22)24-19(27)17-7-12(8-18(26)32)11-25(17)21(29)31-6-4-2/h3-4,9-10,12,17H,1-2,5-8,11H2,(H,24,27)(H,26,32)/p-1