diethyl 2-[[4-(azidomethyl)-5-ethoxycarbonyl-thiophen-3-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[4-(azidomethyl)-5-ethoxycarbonyl-thiophen-3-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[4-(azidomethyl)-5-ethoxycarbonyl-3-thienyl]methylene]propanedioate CAS Name: 2-[[4-(azidomethyl)-5-ethoxycarbonyl-3-thiophenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(azidomethyl)-5-ethoxycarbonylthiophen-3-yl]methylidene]propanedioate Traditional Name: 2-[[4-(azidomethyl)-5-carbethoxy-3-thienyl]methylene]malonic acid diethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C=C(C(=O)OCC)C(=O)OCC)CN=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C=C(C(=O)OCC)C(=O)OCC)CN=[N+]=[N-]

InChI

InChI=1S/C16H19N3O6S/c1-4-23-14(20)11(15(21)24-5-2)7-10-9-26-13(16(22)25-6-3)12(10)8-18-19-17/h7,9H,4-6,8H2,1-3H3