ethyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[(4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[(4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O4S/c1-3-33-25(32)17-12-14-19(15-13-17)27-24(31)23-16(2)22-20(10-7-11-21(22)34-23)29-30-26(35)28-18-8-5-4-6-9-18/h4-6,8-9,12-15H,3,7,10-11H2,1-2H3,(H,27,31)(H2,28,30,35)/b29-20+