3-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylpropanoic acid

Systemtic Name: 3-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylpropanoic acid Openeye Name: 3-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylpropanoic acid CAS Name: 3-[[phenylimino(1-pyrrolidinyl)methyl]thio]propanoic acid IUPAC Name: 3-(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)sulfanylpropanoic acid Traditional Name: 3-[(N-phenyl-C-pyrrolidino-carbonimidoyl)thio]propionic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCCC(=O)O

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCCC(=O)O

InChI

InChI=1S/C14H18N2O2S/c17-13(18)8-11-19-14(16-9-4-5-10-16)15-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,18)