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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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