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

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(2-thienylmethylamino)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(2-thenylamino)ethyl] ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NCC1=CC=CS1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NCC1=CC=CS1

InChI

InChI=1S/C13H15NO5S/c1-2-18-12(16)5-6-13(17)19-9-11(15)14-8-10-4-3-7-20-10/h3-7H,2,8-9H2,1H3,(H,14,15)/b6-5+