2-[5-[(3-methylsulfonyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[(3-methylsulfonyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-5-methylsulfonyl-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[3-methylsulfonyl-5-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(3-methylsulfonyl-5-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-5-mesyl-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C22H25N2O8S2- MolecularWeight: 509.5725

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-])C(=O)OCC=C

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-])C(=O)OCC=C

InChI

InChI=1S/C22H26N2O8S2/c1-4-6-31-21(27)15-10-16(12-17(11-15)34(3,29)30)23-20(26)18-8-14(9-19(25)33)13-24(18)22(28)32-7-5-2/h4-5,10-12,14,18H,1-2,6-9,13H2,3H3,(H,23,26)(H,25,33)/p-1