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

Systemtic Name: (4-methoxycarbonylphenyl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (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 (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (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 (4-carbomethoxyphenyl) ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-10-15-13(21-22-19(20)28)4-3-5-14(15)27-16(10)18(24)26-12-8-6-11(7-9-12)17(23)25-2/h6-9H,3-5H2,1-2H3,(H3,20,22,28)/b21-13+