methyl 3-[(5-azanyl-2-ethoxy-phenyl)methylsulfonyl]propanoate

Systemtic Name: methyl 3-[(5-azanyl-2-ethoxy-phenyl)methylsulfonyl]propanoate Openeye Name: methyl 3-[(5-amino-2-ethoxy-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(5-amino-2-ethoxyphenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-2-ethoxyphenyl)methylsulfonyl]propanoate Traditional Name: 3-(5-amino-2-ethoxy-benzyl)sulfonylpropionic acid methyl ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N)CS(=O)(=O)CCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)N)CS(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C13H19NO5S/c1-3-19-12-5-4-11(14)8-10(12)9-20(16,17)7-6-13(15)18-2/h4-5,8H,3,6-7,9,14H2,1-2H3