2-[2-fluoranyl-4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(5-methyl-2-thienyl)acryloyl]phenyl]thio]acetic acid Formula: C16H13FO3S2 MolecularWeight: 336.401023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C16H13FO3S2/c1-10-2-4-12(22-10)5-6-14(18)11-3-7-15(13(17)8-11)21-9-16(19)20/h2-8H,9H2,1H3,(H,19,20)/b6-5+