methyl 3-[(5-azanyl-2-chloranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(5-azanyl-2-chloranyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(5-amino-2-chloro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(5-amino-2-chlorophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-2-chlorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(5-amino-2-chloro-benzyl)thio]propionic acid methyl ester Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNO2S/c1-15-11(14)4-5-16-7-8-6-9(13)2-3-10(8)12/h2-3,6H,4-5,7,13H2,1H3