ethyl 3-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-oxidanyl-propanoate

Systemtic Name: ethyl 3-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-oxidanyl-propanoate Openeye Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-(o-tolyl)propanoyl]amino]-2-hydroxy-propanoate CAS Name: 3-[[2-[(acetylthio)methyl]-3-(2-methylphenyl)-1-oxopropyl]amino]-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-hydroxypropanoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(o-tolyl)propanoyl]amino]-2-hydroxy-propionic acid ethyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C(CC1=CC=CC=C1C)CSC(=O)C)O

Isomeric SMILES

CCOC(=O)C(CNC(=O)C(CC1=CC=CC=C1C)CSC(=O)C)O

InChI

InChI=1S/C18H25NO5S/c1-4-24-18(23)16(21)10-19-17(22)15(11-25-13(3)20)9-14-8-6-5-7-12(14)2/h5-8,15-16,21H,4,9-11H2,1-3H3,(H,19,22)