(E)-3-[phenyl-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)amino]but-2-enoic acid

Systemtic Name: (E)-3-[phenyl-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)amino]but-2-enoic acid Openeye Name: (E)-3-(N-(6-thioxocyclohexa-1,3-dien-1-yl)anilino)but-2-enoic acid CAS Name: (E)-3-(N-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)anilino)-2-butenoic acid IUPAC Name: (E)-3-(N-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)anilino)but-2-enoic acid Traditional Name: (E)-3-(N-(6-thioxocyclohexa-1,3-dien-1-yl)anilino)but-2-enoic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)N(C1=CC=CC=C1)C2=CC=CCC2=S

Isomeric SMILES

C/C(=C\C(=O)O)/N(C1=CC=CC=C1)C2=CC=CCC2=S

InChI

InChI=1S/C16H15NO2S/c1-12(11-16(18)19)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)20/h2-9,11H,10H2,1H3,(H,18,19)/b12-11+