2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-indan-1-yl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-(2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-[3-acetylsulfanyl-2-(2,3-dihydro-1H-inden-1-yl)propanoyl]anilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-indan-1-yl-propanoyl]anilino)acetic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=CC=CC=C12)C(=O)N(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(C1CCC2=CC=CC=C12)C(=O)N(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-15(24)28-14-20(19-12-11-16-7-5-6-10-18(16)19)22(27)23(13-21(25)26)17-8-3-2-4-9-17/h2-10,19-20H,11-14H2,1H3,(H,25,26)