ethyl (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid ethyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO6S/c1-6-24-17(20)12(7-8-25-5)18-16(19)11-9-13(21-2)15(23-4)14(10-11)22-3/h9-10,12H,6-8H2,1-5H3,(H,18,19)/t12-/m0/s1