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

Systemtic Name: ethyl 4-(3-bromanylthiophen-2-yl)-2-oxidanylidene-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(3-bromo-2-thienyl)-2-oxo-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-bromo-2-thiophenyl)-2-oxo-6-(4-propoxyphenyl)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromothiophen-2-yl)-2-oxo-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-bromo-2-thienyl)-2-keto-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H23BrO4S MolecularWeight: 463.38462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=C(C=CS3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=C(C=CS3)Br

InChI

InChI=1S/C22H23BrO4S/c1-3-10-27-16-7-5-14(6-8-16)17-12-15(21-18(23)9-11-28-21)13-19(24)20(17)22(25)26-4-2/h5-9,11,13,17,20H,3-4,10,12H2,1-2H3