ethyl 4-(3-bromanylthiophen-2-yl)-6-(4-butoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-(3-bromanylthiophen-2-yl)-6-(4-butoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(3-bromo-2-thienyl)-6-(4-butoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-bromo-2-thiophenyl)-6-(4-butoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromothiophen-2-yl)-6-(4-butoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-bromo-2-thienyl)-6-(4-butoxyphenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H25BrO4S MolecularWeight: 477.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=C(C=CS3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=C(C=CS3)Br

InChI

InChI=1S/C23H25BrO4S/c1-3-5-11-28-17-8-6-15(7-9-17)18-13-16(22-19(24)10-12-29-22)14-20(25)21(18)23(26)27-4-2/h6-10,12,14,18,21H,3-5,11,13H2,1-2H3