(4-methylsulfanylphenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO4S2/c1-25-19-7-5-4-6-17(19)20(23)22-18(12-13-27-2)21(24)26-14-15-8-10-16(28-3)11-9-15/h4-11,18H,12-14H2,1-3H3,(H,22,23)/t18-/m0/s1