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

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NCCSC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NCCSC1=CC=CC=C1

InChI

InChI=1S/C16H19NO5S/c1-2-21-15(19)8-9-16(20)22-12-14(18)17-10-11-23-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,17,18)/b9-8+