[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C18H19BrO4S/c1-2-3-4-11-22-14-7-5-13(6-8-14)18(21)23-12-15(20)16-9-10-17(19)24-16/h5-10H,2-4,11-12H2,1H3