methyl 2-azanyl-3-[3-[[azanyl(methylsulfanyl)methylidene]amino]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[3-[[azanyl(methylsulfanyl)methylidene]amino]phenyl]propanoate Openeye Name: methyl 2-amino-3-[3-[[amino(methylsulfanyl)methylene]amino]phenyl]propanoate CAS Name: 2-amino-3-[3-[[amino-(methylthio)methylidene]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[3-[[amino(methylsulfanyl)methylidene]amino]phenyl]propanoate Traditional Name: 2-amino-3-[3-[[amino-(methylthio)methylene]amino]phenyl]propionic acid methyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)N=C(N)SC)N

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)N=C(N)SC)N

InChI

InChI=1S/C12H17N3O2S/c1-17-11(16)10(13)7-8-4-3-5-9(6-8)15-12(14)18-2/h3-6,10H,7,13H2,1-2H3,(H2,14,15)