methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C20H21NO7S/c1-24-16-9-13(20(23)26-3)14(10-17(16)25-2)21-19(22)11-29-12-4-5-15-18(8-12)28-7-6-27-15/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,22)