methyl 2-acetamido-3-[4-[[azanyl(methylsulfanyl)methylidene]amino]phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[4-[[azanyl(methylsulfanyl)methylidene]amino]phenyl]-2-methyl-propanoate Openeye Name: methyl 2-acetamido-3-[4-[[amino(methylsulfanyl)methylene]amino]phenyl]-2-methyl-propanoate CAS Name: 2-acetamido-3-[4-[[amino-(methylthio)methylidene]amino]phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-[[amino(methylsulfanyl)methylidene]amino]phenyl]-2-methylpropanoate Traditional Name: 2-acetamido-3-[4-[[amino-(methylthio)methylene]amino]phenyl]-2-methyl-propionic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CC1=CC=C(C=C1)N=C(N)SC)C(=O)OC

Isomeric SMILES

CC(=O)NC(C)(CC1=CC=C(C=C1)N=C(N)SC)C(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-10(19)18-15(2,13(20)21-3)9-11-5-7-12(8-6-11)17-14(16)22-4/h5-8H,9H2,1-4H3,(H2,16,17)(H,18,19)