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

Systemtic Name: (E)-4-oxidanylidene-4-[(2-phenylsulfanylphenyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2-phenylsulfanylanilino)but-2-enoic acid CAS Name: (E)-4-oxo-4-[2-(phenylthio)anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2-phenylsulfanylanilino)but-2-enoic acid Traditional Name: (E)-4-keto-4-[2-(phenylthio)anilino]but-2-enoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H13NO3S/c18-15(10-11-16(19)20)17-13-8-4-5-9-14(13)21-12-6-2-1-3-7-12/h1-11H,(H,17,18)(H,19,20)/b11-10+