(4-methanoyl-2-methoxy-phenyl) 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: (4-formyl-2-methoxy-phenyl) 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid (4-formyl-2-methoxy-phenyl) ester Formula: C25H18BrNO6S MolecularWeight: 540.38252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CC=C2SC3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CC=C2SC3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H18BrNO6S/c1-32-20-12-15(14-28)6-11-19(20)33-25(31)18-4-2-3-5-21(18)34-22-13-23(29)27(24(22)30)17-9-7-16(26)8-10-17/h2-12,14,22H,13H2,1H3