methyl 3-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(2-amino-4-carbamoyl-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-amino-4-carbamoylphenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-4-carbamoylphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-amino-4-carbamoyl-benzyl)thio]propionic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-17-11(15)4-5-18-7-9-3-2-8(12(14)16)6-10(9)13/h2-3,6H,4-5,7,13H2,1H3,(H2,14,16)