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

Systemtic Name: naphthalen-2-yl (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 2-naphthyl (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 2-naphthalenyl ester IUPAC Name: naphthalen-2-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 2-naphthyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O3S/c1-12-18-16(23-24-21(22)28)7-4-8-17(18)27-19(12)20(25)26-15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-11H,4,7-8H2,1H3,(H3,22,24,28)/b23-16+