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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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