diethyl 2-[[3,4-bis(azidomethyl)-5-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)thiophen-2-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3,4-bis(azidomethyl)-5-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)thiophen-2-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[3,4-bis(azidomethyl)-5-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)-2-thienyl]methylene]propanedioate CAS Name: 2-[[3,4-bis(azidomethyl)-5-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-2-thiophenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3,4-bis(azidomethyl)-5-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)thiophen-2-yl]methylidene]propanedioate Traditional Name: 2-[[3,4-bis(azidomethyl)-5-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)-2-thienyl]methylene]malonic acid diethyl ester Formula: C22H26N6O8S MolecularWeight: 534.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(S1)C=C(C(=O)OCC)C(=O)OCC)CN=[N+]=[N-])CN=[N+]=[N-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=C(C(=C(S1)C=C(C(=O)OCC)C(=O)OCC)CN=[N+]=[N-])CN=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C22H26N6O8S/c1-5-33-19(29)13(20(30)34-6-2)9-17-15(11-25-27-23)16(12-26-28-24)18(37-17)10-14(21(31)35-7-3)22(32)36-8-4/h9-10H,5-8,11-12H2,1-4H3