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

Systemtic Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-23-19(22)14-4-2-13(3-5-14)11-20-18(21)12-26-15-6-7-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)