methyl 2-azanyl-3-[2,5-bis(oxidanyl)phenyl]sulfanyl-propanoate

Systemtic Name: methyl 2-azanyl-3-[2,5-bis(oxidanyl)phenyl]sulfanyl-propanoate Openeye Name: methyl 2-amino-3-(2,5-dihydroxyphenyl)sulfanyl-propanoate CAS Name: 2-amino-3-[(2,5-dihydroxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(2,5-dihydroxyphenyl)sulfanylpropanoate Traditional Name: 2-amino-3-[(2,5-dihydroxyphenyl)thio]propionic acid methyl ester Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=C(C=CC(=C1)O)O)N

Isomeric SMILES

COC(=O)C(CSC1=C(C=CC(=C1)O)O)N

InChI

InChI=1S/C10H13NO4S/c1-15-10(14)7(11)5-16-9-4-6(12)2-3-8(9)13/h2-4,7,12-13H,5,11H2,1H3