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

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-22-18(21)12-3-2-4-13(9-12)19-17(20)11-25-14-5-6-15-16(10-14)24-8-7-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)