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

Systemtic Name: ethyl (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: ethyl (4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)CCCC2=NNC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C\2=C(O1)CCC/C2=N\NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O3S/c1-3-24-18(23)17-12(2)16-14(10-7-11-15(16)25-17)21-22-19(26)20-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H2,20,22,26)/b21-14+