[3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-isochromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisochromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-isochromen-7-yl] ester Formula: C20H18O7S MolecularWeight: 402.41772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCC(=O)OC)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCC(=O)OC)OC(=O)C3=CC=CS3

InChI

InChI=1S/C20H18O7S/c1-20(27-19(24)15-6-4-8-28-15)16(21)10-12-9-13(5-3-7-17(22)25-2)26-11-14(12)18(20)23/h4,6,8-11H,3,5,7H2,1-2H3