2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-phenyl-amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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