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

Systemtic Name: (4-methylphenyl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: p-tolyl (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-methylphenyl) ester IUPAC Name: (4-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 p-tolyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-10-6-8-12(9-7-10)23-17(22)16-11(2)15-13(20-21-18(19)25)4-3-5-14(15)24-16/h6-9H,3-5H2,1-2H3,(H3,19,21,25)/b20-13+