(2-methylquinolin-8-yl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (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 (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (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 (2-methyl-8-quinolyl) ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CCCC4=NNC(=S)NC5=CC=CC=C5)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CCC/C4=N\NC(=S)NC5=CC=CC=C5)C)C=C1

InChI

InChI=1S/C27H24N4O3S/c1-16-14-15-18-8-6-13-22(24(18)28-16)34-26(32)25-17(2)23-20(11-7-12-21(23)33-25)30-31-27(35)29-19-9-4-3-5-10-19/h3-6,8-10,13-15H,7,11-12H2,1-2H3,(H2,29,31,35)/b30-20+