methyl 3-[2-(2-bromanylthiophen-3-yl)ethyl]-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 3-[2-(2-bromanylthiophen-3-yl)ethyl]-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 3-[2-(2-bromo-3-thienyl)ethyl]-3-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[2-(2-bromo-3-thiophenyl)ethyl]-3-methyl-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(2-bromothiophen-3-yl)ethyl]-3-methyl-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-[2-(2-bromo-3-thienyl)ethyl]-6-keto-3-methyl-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C15H15BrO3S MolecularWeight: 355.2468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(=O)OC)CCC2=C(SC=C2)Br

Isomeric SMILES

CC1(C=CC(=O)C(=C1)C(=O)OC)CCC2=C(SC=C2)Br

InChI

InChI=1S/C15H15BrO3S/c1-15(6-3-10-5-8-20-13(10)16)7-4-12(17)11(9-15)14(18)19-2/h4-5,7-9H,3,6H2,1-2H3