pyridin-3-yl (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-9-13-11(19-20-16(17)24)5-2-6-12(13)23-14(9)15(21)22-10-4-3-7-18-8-10/h3-4,7-8H,2,5-6H2,1H3,(H3,17,20,24)/b19-11+