2-[1-(2-bromanyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-bromanyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-bromo-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-bromo-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-bromo-4-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C18H14BrNO4S MolecularWeight: 420.27706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C18H14BrNO4S/c1-10-6-7-13(12(19)8-10)20-16(21)9-15(17(20)22)25-14-5-3-2-4-11(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)