[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C22H25NO5S/c1-15(17-7-5-4-6-8-17)23-21(25)12-28-22(26)14-29-13-19-11-18(16(2)24)9-10-20(19)27-3/h4-11,15H,12-14H2,1-3H3,(H,23,25)/t15-/m0/s1