(phenylmethyl) 2-azanyl-4-phenylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-azanyl-4-phenylsulfanyl-butanoate Openeye Name: benzyl 2-amino-4-phenylsulfanyl-butanoate CAS Name: 2-amino-4-(phenylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-4-phenylsulfanylbutanoate Traditional Name: 2-amino-4-(phenylthio)butyric acid benzyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCSC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCSC2=CC=CC=C2)N

InChI

InChI=1S/C17H19NO2S/c18-16(11-12-21-15-9-5-2-6-10-15)17(19)20-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2