3-[1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid Openeye Name: 3-[1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpropanoic acid CAS Name: 3-[[1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 3-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-(3-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Br)SCCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Br)SCCC(=O)O

InChI

InChI=1S/C13H12BrNO4S/c14-8-2-1-3-9(6-8)15-11(16)7-10(13(15)19)20-5-4-12(17)18/h1-3,6,10H,4-5,7H2,(H,17,18)