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

Systemtic Name: methyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 2-[[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 2-[[(4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-10-15-13(22-23-19(20)28)8-5-9-14(15)27-16(10)17(24)21-12-7-4-3-6-11(12)18(25)26-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,21,24)(H3,20,23,28)/b22-13+