[3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-butyl-5-(2-furyl)-7-methyl-6,8-dioxo-isochromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-butyl-5-(2-furanyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisochromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-butyl-5-(2-furyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C23H20O6S MolecularWeight: 424.4663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C23H20O6S/c1-3-4-7-14-12-15-16(13-28-14)20(24)23(2,29-22(26)18-9-6-11-30-18)21(25)19(15)17-8-5-10-27-17/h5-6,8-13H,3-4,7H2,1-2H3