[(E)-[azanyl(pyridin-3-yl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [(E)-[azanyl(pyridin-3-yl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate Openeye Name: [(E)-[amino(3-pyridyl)methylene]amino] 3-benzylsulfanylpropanoate CAS Name: 3-(phenylmethylthio)propanoic acid [(E)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)propionic acid [(E)-[amino(3-pyridyl)methylene]amino] ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)ON=C(C2=CN=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)O/N=C(\C2=CN=CC=C2)/N

InChI

InChI=1S/C16H17N3O2S/c17-16(14-7-4-9-18-11-14)19-21-15(20)8-10-22-12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,17,19)