methyl 4-[[[(2R)-2-phenylsulfanylpropanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2R)-2-phenylsulfanylpropanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(2R)-2-phenylsulfanylpropanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2R)-1-oxo-2-(phenylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-2-phenylsulfanylpropanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2R)-2-(phenylthio)propanoyl]amino]methyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-13(23-16-6-4-3-5-7-16)17(20)19-12-14-8-10-15(11-9-14)18(21)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1