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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)(CSC(=O)C)NC(=O)CCC1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)C(CCSC)(CSC(=O)C)NC(=O)CCC1=CC=CC=C1C

InChI

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