(Z)-2-diazonio-1-[5-ethoxycarbonyl-3-[1-(phenylmethyl)-2-sulfanylidene-pyrrolidin-3-yl]-1H-pyrrol-2-yl]ethenolate

Systemtic Name: (Z)-2-diazonio-1-[5-ethoxycarbonyl-3-[1-(phenylmethyl)-2-sulfanylidene-pyrrolidin-3-yl]-1H-pyrrol-2-yl]ethenolate Openeye Name: (Z)-1-[3-(1-benzyl-2-thioxo-pyrrolidin-3-yl)-5-ethoxycarbonyl-1H-pyrrol-2-yl]-2-diazonio-ethenolate CAS Name: (Z)-2-diazonio-1-[5-ethoxycarbonyl-3-[1-(phenylmethyl)-2-sulfanylidene-3-pyrrolidinyl]-1H-pyrrol-2-yl]ethenolate IUPAC Name: (Z)-1-[3-(1-benzyl-2-sulfanylidenepyrrolidin-3-yl)-5-ethoxycarbonyl-1H-pyrrol-2-yl]-2-diazonioethenolate Traditional Name: (Z)-1-[3-(1-benzyl-2-thioxo-pyrrolidin-3-yl)-5-carbethoxy-1H-pyrrol-2-yl]-2-diazonio-ethenolate Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)C(=C[N+]#N)[O-])C2CCN(C2=S)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)/C(=C/[N+]#N)/[O-])C2CCN(C2=S)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-2-27-20(26)16-10-15(18(23-16)17(25)11-22-21)14-8-9-24(19(14)28)12-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12H2,1H3,(H-,23,25,26)/b17-11-