2-[5-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(5-bromo-2-thienyl)acryloyl]-2-methoxy-phenyl]acetic acid Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(S2)Br)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(S2)Br)CC(=O)O

InChI

InChI=1S/C16H13BrO4S/c1-21-14-6-2-10(8-11(14)9-16(19)20)13(18)5-3-12-4-7-15(17)22-12/h2-8H,9H2,1H3,(H,19,20)/b5-3+