[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C19H22BrNO5S MolecularWeight: 456.35068

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=CS2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=CS2)OC

InChI

InChI=1S/C19H22BrNO5S/c1-3-8-25-18-15(20)10-13(11-16(18)24-2)19(23)26-12-17(22)21-7-6-14-5-4-9-27-14/h4-5,9-11H,3,6-8,12H2,1-2H3,(H,21,22)