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

Systemtic Name: 2-azanyl-3-[1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C13H13IN2O4S MolecularWeight: 420.22279

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)I)SCC(C(=O)O)N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)I)SCC(C(=O)O)N

InChI

InChI=1S/C13H13IN2O4S/c14-7-1-3-8(4-2-7)16-11(17)5-10(12(16)18)21-6-9(15)13(19)20/h1-4,9-10H,5-6,15H2,(H,19,20)