methyl (2S)-4-methylsulfanyl-2-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]butyric acid methyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC(CCSC)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N[C@@H](CCSC)C(=O)OC)OC)OC

InChI

InChI=1S/C17H25NO6S/c1-21-13-7-6-11(15(22-2)16(13)23-3)10-14(19)18-12(8-9-25-5)17(20)24-4/h6-7,12H,8-10H2,1-5H3,(H,18,19)/t12-/m0/s1