(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C21H31NO7S/c1-21(2,3)17(23)12-29-20(25)14(8-9-30-7)22-19(24)13-10-15(26-4)18(28-6)16(11-13)27-5/h10-11,14H,8-9,12H2,1-7H3,(H,22,24)/t14-/m0/s1