ethyl 3-(phenylmethylsulfanyl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-mesitylacetyl)amino]propionic acid ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)CC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)CC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C23H29NO3S/c1-5-27-23(26)21(15-28-14-19-9-7-6-8-10-19)24-22(25)13-20-17(3)11-16(2)12-18(20)4/h6-12,21H,5,13-15H2,1-4H3,(H,24,25)