methyl 2-[[2-(3-methyl-4-oxidanylidene-2-sulfanyl-pentanoyl)phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-(3-methyl-4-oxidanylidene-2-sulfanyl-pentanoyl)phenyl]amino]ethanoate Openeye Name: methyl 2-[2-(3-methyl-4-oxo-2-sulfanyl-pentanoyl)anilino]acetate CAS Name: 2-[2-(2-mercapto-3-methyl-1,4-dioxopentyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methyl-4-oxo-2-sulfanylpentanoyl)anilino]acetate Traditional Name: 2-[2-(4-keto-2-mercapto-3-methyl-pentanoyl)anilino]acetic acid methyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC=C1NCC(=O)OC)S)C(=O)C

Isomeric SMILES

CC(C(C(=O)C1=CC=CC=C1NCC(=O)OC)S)C(=O)C

InChI

InChI=1S/C15H19NO4S/c1-9(10(2)17)15(21)14(19)11-6-4-5-7-12(11)16-8-13(18)20-3/h4-7,9,15-16,21H,8H2,1-3H3