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

Systemtic Name: methyl 3-(2-azanyl-4-cyano-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-amino-4-cyano-phenyl)sulfanylpropanoate CAS Name: 3-[(2-amino-4-cyanophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-cyanophenyl)sulfanylpropanoate Traditional Name: 3-[(2-amino-4-cyano-phenyl)thio]propionic acid methyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2S/c1-15-11(14)4-5-16-10-3-2-8(7-12)6-9(10)13/h2-3,6H,4-5,13H2,1H3