methyl 3-(2-azanyl-4-methylsulfonyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-azanyl-4-methylsulfonyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-amino-4-methylsulfonyl-phenyl)sulfanylpropanoate CAS Name: 3-[(2-amino-4-methylsulfonylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-methylsulfonylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-amino-4-mesyl-phenyl)thio]propionic acid methyl ester Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)C)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)C)N

InChI

InChI=1S/C11H15NO4S2/c1-16-11(13)5-6-17-10-4-3-8(7-9(10)12)18(2,14)15/h3-4,7H,5-6,12H2,1-2H3