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

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(2-thenoylamino)ethyl] ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC(=O)C1=CC=CS1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC(=O)C1=CC=CS1

InChI

InChI=1S/C13H13NO6S/c1-2-19-11(16)5-6-12(17)20-8-10(15)14-13(18)9-4-3-7-21-9/h3-7H,2,8H2,1H3,(H,14,15,18)/b6-5+