3-[[3-[(2-cyanophenyl)methylsulfanyl]pyridin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[(2-cyanophenyl)methylsulfanyl]pyridin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[(2-cyanophenyl)methylsulfanyl]pyridine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[3-[(2-cyanophenyl)methylthio]-4-pyridinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[(2-cyanophenyl)methylsulfanyl]pyridine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[3-[(2-cyanobenzyl)thio]isonicotinoyl]amino]propionic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=CN=C2)C(=O)NCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=CN=C2)C(=O)NCCC(=O)O)C#N

InChI

InChI=1S/C17H15N3O3S/c18-9-12-3-1-2-4-13(12)11-24-15-10-19-7-5-14(15)17(23)20-8-6-16(21)22/h1-5,7,10H,6,8,11H2,(H,20,23)(H,21,22)