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

Systemtic Name: ethyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 2-[[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 2-[[(4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)N)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)N)C

InChI

InChI=1S/C20H22N4O4S/c1-3-27-19(26)12-7-4-5-8-13(12)22-18(25)17-11(2)16-14(23-24-20(21)29)9-6-10-15(16)28-17/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,22,25)(H3,21,24,29)/b23-14+