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

Systemtic Name: phenyl (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-11-15-13(21-22-18(20)26)9-19(2,3)10-14(15)25-16(11)17(23)24-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H3,20,22,26)/b21-13-