methyl 2-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 2-[[[(4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 2-[[(4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H24N4O4S/c1-15-21-19(28-29-25(34)26-16-9-4-3-5-10-16)13-8-14-20(21)33-22(15)23(30)27-18-12-7-6-11-17(18)24(31)32-2/h3-7,9-12H,8,13-14H2,1-2H3,(H,27,30)(H2,26,29,34)/b28-19+