[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino] benzoate

Systemtic Name: [[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino] benzoate Openeye Name: [(3-acetylsulfanyl-2-benzyl-butanoyl)amino] benzoate CAS Name: benzoic acid [[3-(acetylthio)-1-oxo-2-(phenylmethyl)butyl]amino] ester IUPAC Name: [(3-acetylsulfanyl-2-benzylbutanoyl)amino] benzoate Traditional Name: benzoic acid [[3-(acetylthio)-2-benzyl-butanoyl]amino] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C20H21NO4S/c1-14(26-15(2)22)18(13-16-9-5-3-6-10-16)19(23)21-25-20(24)17-11-7-4-8-12-17/h3-12,14,18H,13H2,1-2H3,(H,21,23)