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

Systemtic Name: 2-azanyl-3-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]thio]propionic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)N

InChI

InChI=1S/C14H16N2O5S/c1-21-9-4-2-8(3-5-9)16-12(17)6-11(13(16)18)22-7-10(15)14(19)20/h2-5,10-11H,6-7,15H2,1H3,(H,19,20)