methyl (2S)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate

Systemtic Name: methyl (2S)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate Openeye Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-3-(3-hydroxypropylthio)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-3-(3-hydroxypropylthio)-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C18H29NO7S2 MolecularWeight: 435.55536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OCCOC)SCCCO

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OCCOC)SCCCO

InChI

InChI=1S/C18H29NO7S2/c1-18(2,27-13-5-10-20)16(17(21)25-4)19-28(22,23)15-8-6-14(7-9-15)26-12-11-24-3/h6-9,16,19-20H,5,10-13H2,1-4H3/t16-/m0/s1