(4-methylsulfanylphenyl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [4-(methylthio)benzyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-14(2)20(22(25)28-13-15-6-8-19(29-5)9-7-15)23-21(24)16-10-17(26-3)12-18(11-16)27-4/h6-12,14,20H,13H2,1-5H3,(H,23,24)