[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H20BrNO5S/c1-13(22)21-11-16-7-8-18(27-16)17(23)12-26-19(24)6-3-9-25-15-5-2-4-14(20)10-15/h2,4-5,7-8,10H,3,6,9,11-12H2,1H3,(H,21,22)