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

Systemtic Name: 2-acetamido-3-[1-(2,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(2,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C)C

InChI

InChI=1S/C17H20N2O5S/c1-9-4-5-13(10(2)6-9)19-15(21)7-14(16(19)22)25-8-12(17(23)24)18-11(3)20/h4-6,12,14H,7-8H2,1-3H3,(H,18,20)(H,23,24)