2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-hydroxy-butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-8-4-5-9(2)11(6-8)20-7-12(17)15-13(10(3)16)14(18)19/h4-6,10,13,16H,7H2,1-3H3,(H,15,17)(H,18,19)