methyl 2-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]ethanoate Openeye Name: methyl 2-[(3-acetylsulfanyl-2-benzyl-butanoyl)amino]acetate CAS Name: 2-[[3-(acetylthio)-1-oxo-2-(phenylmethyl)butyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-acetylsulfanyl-2-benzylbutanoyl)amino]acetate Traditional Name: 2-[[3-(acetylthio)-2-benzyl-butanoyl]amino]acetic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)NCC(=O)OC)SC(=O)C

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)NCC(=O)OC)SC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-11(22-12(2)18)14(9-13-7-5-4-6-8-13)16(20)17-10-15(19)21-3/h4-8,11,14H,9-10H2,1-3H3,(H,17,20)