methyl 6-[2-(2-pyridin-2-ylethylsulfanyl)ethanoylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[2-(2-pyridin-2-ylethylsulfanyl)ethanoylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[2-[2-(2-pyridyl)ethylsulfanyl]acetyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[1-oxo-2-[2-(2-pyridinyl)ethylthio]ethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-pyridin-2-ylethylsulfanyl)acetyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[2-[2-(2-pyridyl)ethylthio]acetyl]amino]-piperonylic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)CSCCC3=CC=CC=N3)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)CSCCC3=CC=CC=N3)OCO2

InChI

InChI=1S/C18H18N2O5S/c1-23-18(22)13-8-15-16(25-11-24-15)9-14(13)20-17(21)10-26-7-5-12-4-2-3-6-19-12/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,20,21)