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

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-1-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-2-thienyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-bromo-2-thiophenyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-1-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromo-2-thienyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-en-1-one Formula: C16H15BrO3S MolecularWeight: 367.2575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)C(=O)C=CC2=CC(=CS2)Br)OC

Isomeric SMILES

COCC1=C(C=CC(=C1)C(=O)/C=C/C2=CC(=CS2)Br)OC

InChI

InChI=1S/C16H15BrO3S/c1-19-9-12-7-11(3-6-16(12)20-2)15(18)5-4-14-8-13(17)10-21-14/h3-8,10H,9H2,1-2H3/b5-4+