(E)-3-[2-[methyl(thiolan-3-yl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[methyl(thiolan-3-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[methyl(tetrahydrothiophen-3-yl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[methyl(3-thiolanyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[methyl(thiolan-3-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[methyl(tetrahydrothiophen-3-yl)amino]phenyl]acrylic acid Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=CC=CC=C2C=CC(=O)O

Isomeric SMILES

CN(C1CCSC1)C2=CC=CC=C2/C=C/C(=O)O

InChI

InChI=1S/C14H17NO2S/c1-15(12-8-9-18-10-12)13-5-3-2-4-11(13)6-7-14(16)17/h2-7,12H,8-10H2,1H3,(H,16,17)/b7-6+