potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-1-sulfanylidene-thieno[3,4-b]indolizin-3-ylidene)methanolate

Systemtic Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-1-sulfanylidene-thieno[3,4-b]indolizin-3-ylidene)methanolate Openeye Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-1-thioxo-thieno[3,4-b]indolizin-3-ylidene)methanolate CAS Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-1-sulfanylidene-3-thieno[3,4-b]indolizinylidene)methanolate IUPAC Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-1-sulfanylidenethieno[3,4-b]indolizin-3-ylidene)methanolate Traditional Name: potassium (E)-(4-bromophenyl)-(4-carbethoxy-1-thioxo-thien[3,4-b]indolizin-3-ylidene)methanolate Formula: C20H13BrKNO3S2 MolecularWeight: 498.45442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C1C(=C(C4=CC=C(C=C4)Br)[O-])SC3=S.[K+]

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C1/C(=C(/C4=CC=C(C=C4)Br)\[O-])/SC3=S.[K+]

InChI

InChI=1S/C20H14BrNO3S2.K/c1-2-25-19(24)14-13-5-3-4-10-22(13)16-15(14)18(27-20(16)26)17(23)11-6-8-12(21)9-7-11;/h3-10,23H,2H2,1H3;/q;+1/p-1/b18-17+;