potassium (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: potassium (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: potassium (4E)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: potassium (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate IUPAC Name: potassium (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: potassium (4E)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxylate Formula: C13H16KN3O3S MolecularWeight: 333.44774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)[O-].[K+]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CC(C2)(C)C)C(=O)[O-].[K+]

InChI

InChI=1S/C13H17N3O3S.K/c1-6-9-7(15-16-12(14)20)4-13(2,3)5-8(9)19-10(6)11(17)18;/h4-5H2,1-3H3,(H,17,18)(H3,14,16,20);/q;+1/p-1/b15-7+;