dimethyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C20H19NO7S/c1-25-19(23)12-7-13(20(24)26-2)9-14(8-12)21-18(22)11-29-15-3-4-16-17(10-15)28-6-5-27-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,22)