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

Systemtic Name: (4-methoxycarbonylphenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)OC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H23N3O5S/c1-15-21-19(27-28-25(34)26-17-7-4-3-5-8-17)9-6-10-20(21)33-22(15)24(30)32-18-13-11-16(12-14-18)23(29)31-2/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,26,28,34)/b27-19+