[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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