(4-methylsulfanylphenyl)methyl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [4-(methylthio)benzyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H27NO4S/c1-5-26-18-10-8-17(9-11-18)21(24)23-20(15(2)3)22(25)27-14-16-6-12-19(28-4)13-7-16/h6-13,15,20H,5,14H2,1-4H3,(H,23,24)/t20-/m0/s1