methyl (2S)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H24ClNO4S MolecularWeight: 373.89476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H24ClNO4S/c1-12-11-13(18)6-7-15(12)23-9-4-5-16(20)19-14(8-10-24-3)17(21)22-2/h6-7,11,14H,4-5,8-10H2,1-3H3,(H,19,20)/t14-/m0/s1