methyl 3-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(3-amino-4-hydroxy-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(3-amino-4-hydroxyphenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-amino-4-hydroxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3-amino-4-hydroxy-benzyl)thio]propionic acid methyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC(=C(C=C1)O)N

Isomeric SMILES

COC(=O)CCSCC1=CC(=C(C=C1)O)N

InChI

InChI=1S/C11H15NO3S/c1-15-11(14)4-5-16-7-8-2-3-10(13)9(12)6-8/h2-3,6,13H,4-5,7,12H2,1H3