2-[5-[(4,5-dimethoxy-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[5-[(4,5-dimethoxy-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4,5-dimethoxy-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[4,5-dimethoxy-2-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(4,5-dimethoxy-2-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4,5-dimethoxy-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC=C)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC=C)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)OC

InChI

InChI=1S/C23H28N2O8S/c1-5-7-32-22(28)15-11-18(30-3)19(31-4)12-16(15)24-21(27)17-9-14(10-20(26)34)13-25(17)23(29)33-8-6-2/h5-6,11-12,14,17H,1-2,7-10,13H2,3-4H3,(H,24,27)(H,26,34)