(E)-4-oxidanylidene-4-[(4-pyridin-2-ylsulfanylphenyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(4-pyridin-2-ylsulfanylphenyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[4-(2-pyridylsulfanyl)anilino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-(2-pyridinylthio)anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(4-pyridin-2-ylsulfanylanilino)but-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(2-pyridylthio)anilino]but-2-enoic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H12N2O3S/c18-13(8-9-15(19)20)17-11-4-6-12(7-5-11)21-14-3-1-2-10-16-14/h1-10H,(H,17,18)(H,19,20)/b9-8+