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

Systemtic Name: 2-[5-[(2-cyano-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2-cyano-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[2-cyano-5-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2-cyano-5-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(5-allyloxycarbonyl-2-cyano-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C22H22N3O6S- MolecularWeight: 456.49158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-3-7-30-21(28)15-5-6-16(12-23)17(11-15)24-20(27)18-9-14(10-19(26)32)13-25(18)22(29)31-8-4-2/h3-6,11,14,18H,1-2,7-10,13H2,(H,24,27)(H,26,32)/p-1