potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-6-methyl-1-sulfanylidene-thieno[3,4-b]indolizin-3-ylidene)methanolate

Systemtic Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-6-methyl-1-sulfanylidene-thieno[3,4-b]indolizin-3-ylidene)methanolate Openeye Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-6-methyl-1-thioxo-thieno[3,4-b]indolizin-3-ylidene)methanolate CAS Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-6-methyl-1-sulfanylidene-3-thieno[3,4-b]indolizinylidene)methanolate IUPAC Name: potassium (E)-(4-bromophenyl)-(4-ethoxycarbonyl-6-methyl-1-sulfanylidenethieno[3,4-b]indolizin-3-ylidene)methanolate Traditional Name: potassium (E)-(4-bromophenyl)-(4-carbethoxy-6-methyl-1-thioxo-thien[3,4-b]indolizin-3-ylidene)methanolate Formula: C21H15BrKNO3S2 MolecularWeight: 512.481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO3S2.K/c1-3-26-20(25)15-14-10-11(2)8-9-23(14)17-16(15)19(28-21(17)27)18(24)12-4-6-13(22)7-5-12;/h4-10,24H,3H2,1-2H3;/q;+1/p-1/b19-18+;