[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C18H20O5S2 MolecularWeight: 380.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C18H20O5S2/c1-4-5-14-10-17(24-12(14)2)18(20)23-11-16(19)13-6-8-15(9-7-13)25(3,21)22/h6-10H,4-5,11H2,1-3H3