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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CC2=C(C=C1N)OCCO2

Isomeric SMILES

CCOC(=O)CSCC1=CC2=C(C=C1N)OCCO2

InChI

InChI=1S/C13H17NO4S/c1-2-16-13(15)8-19-7-9-5-11-12(6-10(9)14)18-4-3-17-11/h5-6H,2-4,7-8,14H2,1H3