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

Systemtic Name: (3,5-dimethylphenyl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CC(CC3=NNC(=S)N)(C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(C\3=C(O2)CC(C/C3=N/NC(=S)N)(C)C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-11-6-12(2)8-14(7-11)26-19(25)18-13(3)17-15(23-24-20(22)28)9-21(4,5)10-16(17)27-18/h6-8H,9-10H2,1-5H3,(H3,22,24,28)/b23-15-