methyl 4-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H21NO3S/c1-16-13-14-18(23(26)27-2)15-20(16)24-22(25)21(17-9-5-3-6-10-17)28-19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,24,25)/t21-/m0/s1