ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-(m-tolyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(3-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(m-tolyl)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC(=C1)C)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC(=C1)C)CSC(=O)C

InChI

InChI=1S/C20H29NO4S2/c1-5-25-20(24)18(9-10-26-4)21-19(23)17(13-27-15(3)22)12-16-8-6-7-14(2)11-16/h6-8,11,17-18H,5,9-10,12-13H2,1-4H3,(H,21,23)