[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)OC

InChI

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