2-acetamido-3-[[(4-cyanophenyl)amino]methylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[[(4-cyanophenyl)amino]methylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(4-cyanoanilino)methylthio]propanoic acid IUPAC Name: 2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(4-cyanoanilino)methylthio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCNC1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCNC1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-9(17)16-12(13(18)19)7-20-8-15-11-4-2-10(6-14)3-5-11/h2-5,12,15H,7-8H2,1H3,(H,16,17)(H,18,19)