[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO5S/c1-21(12-14-3-8-17-18(11-14)25-10-9-24-17)19(22)13-26-20(23)15-4-6-16(27-2)7-5-15/h3-8,11H,9-10,12-13H2,1-2H3