methyl 2-[(5-azanyl-2-ethoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-azanyl-2-ethoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(5-amino-2-ethoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-amino-2-ethoxyphenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-amino-2-ethoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-amino-2-ethoxy-benzyl)thio]acetic acid methyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N)CSCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)N)CSCC(=O)OC

InChI

InChI=1S/C12H17NO3S/c1-3-16-11-5-4-10(13)6-9(11)7-17-8-12(14)15-2/h4-6H,3,7-8,13H2,1-2H3