[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H17NO5S/c1-25-16-9-5-2-6-12(16)19-17(20)11-23-18(21)15-10-22-13-7-3-4-8-14(13)24-15/h2-9,15H,10-11H2,1H3,(H,19,20)/t15-/m1/s1