[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl benzoate

Systemtic Name: [[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl benzoate Openeye Name: [[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl benzoate CAS Name: benzoic acid [[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]methyl ester IUPAC Name: [[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]methyl benzoate Traditional Name: benzoic acid [[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-15(22)26-13-18(12-16-8-4-2-5-9-16)19(23)21-14-25-20(24)17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3,(H,21,23)