(E)-1-(4-bromanylthiophen-2-yl)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]prop-2-en-1-one Formula: C19H20BrNO2S2 MolecularWeight: 438.4016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=CS2)Br)CN3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CS2)Br)CN3CCSCC3

InChI

InChI=1S/C19H20BrNO2S2/c1-23-18-5-3-14(2-4-17(22)19-11-16(20)13-25-19)10-15(18)12-21-6-8-24-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3/b4-2+