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

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NCCC1=CC=CS1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NCCC1=CC=CS1

InChI

InChI=1S/C14H17NO5S/c1-2-19-13(17)5-6-14(18)20-10-12(16)15-8-7-11-4-3-9-21-11/h3-6,9H,2,7-8,10H2,1H3,(H,15,16)/b6-5+