2-[5-[(2-fluoranyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[5-[(2-fluoranyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2-fluoro-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[2-fluoro-5-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(2-fluoro-5-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2-fluoro-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC(=C(C=C1)F)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=CC(=C(C=C1)F)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C21H23FN2O6S/c1-3-7-29-20(27)14-5-6-15(22)16(11-14)23-19(26)17-9-13(10-18(25)31)12-24(17)21(28)30-8-4-2/h3-6,11,13,17H,1-2,7-10,12H2,(H,23,26)(H,25,31)