O1-ethyl O4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S/c1-2-25-19(23)12-13-20(24)26-14-18(22)21-16-10-6-7-11-17(16)27-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,22)/b13-12+