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

Systemtic Name: phenyl (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-15-20-18(25-26-23(30)24-16-9-4-2-5-10-16)13-8-14-19(20)29-21(15)22(27)28-17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3,(H2,24,26,30)/b25-18+