methyl 3-bromanyl-4-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethoxy]benzoate CAS Name: 3-bromo-4-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethoxy]benzoic acid methyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2C3=CC=CS3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2C3=CC=CS3)Br

InChI

InChI=1S/C18H18BrNO4S/c1-23-18(22)12-6-7-15(13(19)10-12)24-11-17(21)20-8-2-4-14(20)16-5-3-9-25-16/h3,5-7,9-10,14H,2,4,8,11H2,1H3