2-[2-fluoranyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(m-tolyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(m-tolyl)acryloyl]phenyl]thio]acetic acid Formula: C18H15FO3S MolecularWeight: 330.373303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C18H15FO3S/c1-12-3-2-4-13(9-12)5-7-16(20)14-6-8-17(15(19)10-14)23-11-18(21)22/h2-10H,11H2,1H3,(H,21,22)/b7-5+