(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18O5S/c1-24-19-12-16(21(23)26-14-17(22)20-8-5-11-27-20)9-10-18(19)25-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3