6-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1C(=O)O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1(C=CC=CC1C(=O)O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO4S/c1-18(9-3-2-4-13(18)17(23)24)25-14-10-15(21)20(16(14)22)12-7-5-11(19)6-8-12/h2-9,13-14H,10H2,1H3,(H,23,24)