methyl (2S)-2-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-25-20(24)18(11-12-27-2)22-19(23)15-5-3-14(4-6-15)13-26-17-9-7-16(21)8-10-17/h3-10,18H,11-13H2,1-2H3,(H,22,23)/t18-/m0/s1