methyl 2-azanyl-3-(1,3-benzodioxol-5-ylsulfanyl)propanoate

Systemtic Name: methyl 2-azanyl-3-(1,3-benzodioxol-5-ylsulfanyl)propanoate Openeye Name: methyl 2-amino-3-(1,3-benzodioxol-5-ylsulfanyl)propanoate CAS Name: 2-amino-3-(1,3-benzodioxol-5-ylthio)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1,3-benzodioxol-5-ylsulfanyl)propanoate Traditional Name: 2-amino-3-(1,3-benzodioxol-5-ylthio)propionic acid methyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

COC(=O)C(CSC1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C11H13NO4S/c1-14-11(13)8(12)5-17-7-2-3-9-10(4-7)16-6-15-9/h2-4,8H,5-6,12H2,1H3