[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate Openeye Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-bromo-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-isochromen-7-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15BrO6S/c1-22(29-21(26)17-4-3-9-30-17)19(24)15-11-28-16(10-14(15)18(23)20(22)25)12-5-7-13(27-2)8-6-12/h3-11H,1-2H3