2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid

Systemtic Name: 2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid Openeye Name: 2-(4-thioxanthen-9-ylidene-1-piperidyl)propanoic acid CAS Name: 2-[4-(9-thioxanthenylidene)-1-piperidinyl]propanoic acid IUPAC Name: 2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid Traditional Name: 2-(4-thioxanthen-9-ylidenepiperidino)propionic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1

Isomeric SMILES

CC(C(=O)O)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1

InChI

InChI=1S/C21H21NO2S/c1-14(21(23)24)22-12-10-15(11-13-22)20-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)20/h2-9,14H,10-13H2,1H3,(H,23,24)