[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H16BrNO5S/c1-21-12-6-10(7-13(22-2)15(12)17)16(20)23-9-14(19)18-8-11-4-3-5-24-11/h3-7H,8-9H2,1-2H3,(H,18,19)