[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H18BrNO6S2 MolecularWeight: 488.37262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H18BrNO6S2/c1-12-2-3-13(10-16(12)28(23,24)20-6-8-25-9-7-20)18(22)26-11-14(21)15-4-5-17(19)27-15/h2-5,10H,6-9,11H2,1H3