methyl 3-[4-(3-oxidanylidenebutyl)phenoxy]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(3-oxidanylidenebutyl)phenoxy]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(3-oxobutyl)phenoxy]sulfonylthiophene-2-carboxylate CAS Name: 3-[4-(3-oxobutyl)phenoxy]sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-oxobutyl)phenoxy]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(3-ketobutyl)phenoxy]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C16H16O6S2 MolecularWeight: 368.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C16H16O6S2/c1-11(17)3-4-12-5-7-13(8-6-12)22-24(19,20)14-9-10-23-15(14)16(18)21-2/h5-10H,3-4H2,1-2H3