(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCOCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCOCC2

InChI

InChI=1S/C16H20BrNO4S/c1-11-8-14(12(2)7-13(11)17)23-10-16(20)22-9-15(19)18-3-5-21-6-4-18/h7-8H,3-6,9-10H2,1-2H3