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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate Openeye Name: (3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-3-4-6-13-9-12-10-16(20)19(2,17(21)14(12)11-23-13)24-18(22)15-7-5-8-25-15/h5,7-11H,3-4,6H2,1-2H3