[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C19H16BrNO5S MolecularWeight: 450.30304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrNO5S/c20-15-6-4-5-14(11-15)19(23)26-12-18(22)21(16-7-2-1-3-8-16)17-9-10-27(24,25)13-17/h1-11,17H,12-13H2