methyl 2-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(3-amino-4-hydroxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(3-amino-4-hydroxyphenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-amino-4-hydroxy-benzyl)thio]acetic acid methyl ester Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC(=C(C=C1)O)N

Isomeric SMILES

COC(=O)CSCC1=CC(=C(C=C1)O)N

InChI

InChI=1S/C10H13NO3S/c1-14-10(13)6-15-5-7-2-3-9(12)8(11)4-7/h2-4,12H,5-6,11H2,1H3