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3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)ethanoate

3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)ethanoate

Systemtic Name:3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)ethanoate
Openeye Name:3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate
CAS Name:2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]acetic acid 3-mercaptopropyl ester
IUPAC Name:3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate
Traditional Name:2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)acetic acid 3-mercaptopropyl ester
Formula: C14H17NO5S
MolecularWeight: 311.35348
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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)OCCCS


Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)OCCCS


InChI

InChI=1S/C14H17NO5S/c16-13(18-6-3-7-21)8-15-14(17)12-9-19-10-4-1-2-5-11(10)20-12/h1-2,4-5,12,21H,3,6-9H2,(H,15,17)


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