(4-chloranyl-3-methyl-phenyl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) (4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3-methyl-phenyl) ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)N)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-9-8-11(6-7-12(9)19)24-17(23)16-10(2)15-13(21-22-18(20)26)4-3-5-14(15)25-16/h6-8H,3-5H2,1-2H3,(H3,20,22,26)/b21-13+