pyridin-3-yl (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=S)N)/CC(C2)(C)C)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C18H20N4O3S/c1-10-14-12(21-22-17(19)26)7-18(2,3)8-13(14)25-15(10)16(23)24-11-5-4-6-20-9-11/h4-6,9H,7-8H2,1-3H3,(H3,19,22,26)/b21-12-