O1-ethyl O4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] ester IUPAC Name: 1-O-ethyl 4-O-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl] ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=NC(=NO1)C2=CC=CS2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=NC(=NO1)C2=CC=CS2

InChI

InChI=1S/C13H12N2O5S/c1-2-18-11(16)5-6-12(17)19-8-10-14-13(15-20-10)9-4-3-7-21-9/h3-7H,2,8H2,1H3/b6-5+