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

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxy-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxy-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxy-phenyl]prop-2-en-1-one Formula: C23H21BrO3S MolecularWeight: 457.38004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=CC(=O)C3=CC(=CS3)Br)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)C3=CC(=CS3)Br)OC

InChI

InChI=1S/C23H21BrO3S/c1-3-16-4-8-20(9-5-16)27-14-18-12-17(7-11-22(18)26-2)6-10-21(25)23-13-19(24)15-28-23/h4-13,15H,3,14H2,1-2H3/b10-6+