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

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO5S/c1-4-22-14-8-11(7-12(18)16(14)21-3)17(20)23-9-13(19)15-6-5-10(2)24-15/h5-8H,4,9H2,1-3H3