[3-(4-bromophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] thiophene-2-carboxylate

Systemtic Name: [3-(4-bromophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] thiophene-2-carboxylate Openeye Name: [3-(4-bromophenyl)-4-methyl-2-oxo-chromen-6-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-bromophenyl)-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(4-bromophenyl)-4-methyl-2-oxochromen-6-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(4-bromophenyl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C21H13BrO4S MolecularWeight: 441.29452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrO4S/c1-12-16-11-15(25-20(23)18-3-2-10-27-18)8-9-17(16)26-21(24)19(12)13-4-6-14(22)7-5-13/h2-11H,1H3