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

Systemtic Name: methyl 4-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-24-20(23)15-4-2-14(3-5-15)8-9-21-19(22)13-27-16-6-7-17-18(12-16)26-11-10-25-17/h2-7,12H,8-11,13H2,1H3,(H,21,22)