[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H21NO6S MolecularWeight: 463.50234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H21NO6S/c1-33-18-6-4-5-17(14-18)26-23(27)15-32-25(29)20-8-3-2-7-19(20)24(28)16-9-10-21-22(13-16)31-12-11-30-21/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)