methyl 2-methoxy-5-[[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H23NO4S/c1-28-21-14-13-17(15-20(21)24(27)29-2)16-25-23(26)22(18-9-5-3-6-10-18)30-19-11-7-4-8-12-19/h3-15,22H,16H2,1-2H3,(H,25,26)/t22-/m0/s1