methyl 4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6S/c1-27-21(25)17-10-8-16(9-11-17)14-29-22(26)19(12-13-30-2)23-20(24)15-28-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,23,24)/t19-/m0/s1