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

Systemtic Name: 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(2-indan-1-yl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[2-(2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]anilino)acetic acid Traditional Name: 2-(N-(2-indan-1-yl-3-mercapto-propanoyl)anilino)acetic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1C(CS)C(=O)N(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2C1C(CS)C(=O)N(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c22-19(23)12-21(15-7-2-1-3-8-15)20(24)18(13-25)17-11-10-14-6-4-5-9-16(14)17/h1-9,17-18,25H,10-13H2,(H,22,23)