(E)-3-[4-(diethylamino)phenyl]-2-sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(diethylamino)phenyl]-2-sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-[4-(diethylamino)phenyl]-2-sulfanyl-prop-2-enoic acid CAS Name: (E)-3-[4-(diethylamino)phenyl]-2-mercapto-2-propenoic acid IUPAC Name: (E)-3-[4-(diethylamino)phenyl]-2-sulfanylprop-2-enoic acid Traditional Name: (E)-3-[4-(diethylamino)phenyl]-2-mercapto-acrylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C(=O)O)S

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(\C(=O)O)/S

InChI

InChI=1S/C13H17NO2S/c1-3-14(4-2)11-7-5-10(6-8-11)9-12(17)13(15)16/h5-9,17H,3-4H2,1-2H3,(H,15,16)/b12-9+