methyl 3-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoate CAS Name: 3-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoate Traditional Name: 3-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC2=C(C=C1N)OCCO2

Isomeric SMILES

COC(=O)CCSCC1=CC2=C(C=C1N)OCCO2

InChI

InChI=1S/C13H17NO4S/c1-16-13(15)2-5-19-8-9-6-11-12(7-10(9)14)18-4-3-17-11/h6-7H,2-5,8,14H2,1H3