1-iodanylprop-2-ynyl 2-azanyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 1-iodanylprop-2-ynyl 2-azanyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: 1-iodoprop-2-ynyl 2-amino-3-benzylsulfanyl-propanoate CAS Name: 2-amino-3-(phenylmethylthio)propanoic acid 1-iodoprop-2-ynyl ester IUPAC Name: 1-iodoprop-2-ynyl 2-amino-3-benzylsulfanylpropanoate Traditional Name: 2-amino-3-(benzylthio)propionic acid 1-iodoprop-2-ynyl ester Formula: C13H14INO2S MolecularWeight: 375.22523

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(OC(=O)C(CSCC1=CC=CC=C1)N)I

Isomeric SMILES

C#CC(OC(=O)C(CSCC1=CC=CC=C1)N)I

InChI

InChI=1S/C13H14INO2S/c1-2-12(14)17-13(16)11(15)9-18-8-10-6-4-3-5-7-10/h1,3-7,11-12H,8-9,15H2