(E)-1,3-diethoxy-3-oxidanylidene-prop-1-en-1-olate; 5-(phenylmethyl)-6H-thieno[3,4-c]pyrrol-5-ium

Systemtic Name: (E)-1,3-diethoxy-3-oxidanylidene-prop-1-en-1-olate; 5-(phenylmethyl)-6H-thieno[3,4-c]pyrrol-5-ium Openeye Name: 5-benzyl-6H-thieno[3,4-c]pyrrol-5-ium; (E)-1,3-diethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-1,3-diethoxy-3-oxo-1-propen-1-olate; 5-(phenylmethyl)-6H-thieno[3,4-c]pyrrol-5-ium IUPAC Name: 5-benzyl-6H-thieno[3,4-c]pyrrol-5-ium; (E)-1,3-diethoxy-3-oxoprop-1-en-1-olate Traditional Name: 5-benzyl-6H-thieno[3,4-c]pyrrol-5-ium; (E)-1,3-diethoxy-3-keto-prop-1-en-1-olate Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)OCC)[O-].C1C2=CSC=C2C=[N+]1CC3=CC=CC=C3

Isomeric SMILES

CCO/C(=C/C(=O)OCC)/[O-].C1C2=CSC=C2C=[N+]1CC3=CC=CC=C3

InChI

InChI=1S/C13H12NS.C7H12O4/c1-2-4-11(5-3-1)6-14-7-12-9-15-10-13(12)8-14;1-3-10-6(8)5-7(9)11-4-2/h1-5,7,9-10H,6,8H2;5,8H,3-4H2,1-2H3/q+1;/p-1/b;6-5+