2-acetamido-3-[1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(2,4-dimethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(2,4-dimethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(2,4-dimethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=C(C=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=C(C=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C17H20N2O7S/c1-9(20)18-11(17(23)24)8-27-14-7-15(21)19(16(14)22)12-5-4-10(25-2)6-13(12)26-3/h4-6,11,14H,7-8H2,1-3H3,(H,18,20)(H,23,24)