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

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(4-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(p-tolyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(4-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(p-tolyl)propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S2/c1-13-5-7-15(8-6-13)11-16(12-26-14(2)21)18(22)20-17(9-10-25-4)19(23)24-3/h5-8,16-17H,9-12H2,1-4H3,(H,20,22)