(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CS2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C16H15BrO5S/c1-3-21-15-11(17)7-10(8-13(15)20-2)16(19)22-9-12(18)14-5-4-6-23-14/h4-8H,3,9H2,1-2H3