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

Systemtic Name: 2-[5-[(4-chloranyl-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-chloro-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[4-chloro-2-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(4-chloro-2-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-chloro-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C21H22ClN2O6S- MolecularWeight: 465.92718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c1-3-7-29-20(27)15-11-14(22)5-6-16(15)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)/p-1