(E)-2-diazonio-1-[1-[2-(oxidanylidenemethylidene)-3-phenylmethoxycarbonyl-1,3-thiazolidin-4-yl]pyrrolidin-2-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[1-[2-(oxidanylidenemethylidene)-3-phenylmethoxycarbonyl-1,3-thiazolidin-4-yl]pyrrolidin-2-yl]ethenolate Openeye Name: (E)-1-[1-[3-benzyloxycarbonyl-2-(oxomethylene)thiazolidin-4-yl]pyrrolidin-2-yl]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[1-[2-(oxomethylidene)-3-phenylmethoxycarbonyl-4-thiazolidinyl]-2-pyrrolidinyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[1-[2-(oxomethylidene)-3-phenylmethoxycarbonyl-1,3-thiazolidin-4-yl]pyrrolidin-2-yl]ethenolate Traditional Name: (E)-1-[1-[3-carbobenzoxy-2-(ketomethylene)thiazolidin-4-yl]pyrrolidin-2-yl]-2-diazonio-ethenolate Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2CSC(=C=O)N2C(=O)OCC3=CC=CC=C3)C(=C[N+]#N)[O-]

Isomeric SMILES

C1CC(N(C1)C2CSC(=C=O)N2C(=O)OCC3=CC=CC=C3)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C18H18N4O4S/c19-20-9-15(24)14-7-4-8-21(14)16-12-27-17(10-23)22(16)18(25)26-11-13-5-2-1-3-6-13/h1-3,5-6,9,14,16H,4,7-8,11-12H2/b15-9+