methyl 4-[[2-(2-hydroxyethylsulfanyl)-3-methyl-3-oxidanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(2-hydroxyethylsulfanyl)-3-methyl-3-oxidanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[3-hydroxy-2-(2-hydroxyethylsulfanyl)-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[3-hydroxy-2-(2-hydroxyethylthio)-3-methyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-hydroxy-2-(2-hydroxyethylsulfanyl)-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[3-hydroxy-2-(2-hydroxyethylthio)-3-methyl-butanoyl]amino]benzoic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC1=CC=C(C=C1)C(=O)OC)SCCO)O

Isomeric SMILES

CC(C)(C(C(=O)NC1=CC=C(C=C1)C(=O)OC)SCCO)O

InChI

InChI=1S/C15H21NO5S/c1-15(2,20)12(22-9-8-17)13(18)16-11-6-4-10(5-7-11)14(19)21-3/h4-7,12,17,20H,8-9H2,1-3H3,(H,16,18)