3-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid

Systemtic Name: 3-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid Openeye Name: 3-(4-thioxanthen-9-ylidene-1-piperidyl)propanoic acid CAS Name: 3-[4-(9-thioxanthenylidene)-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoic acid Traditional Name: 3-(4-thioxanthen-9-ylidenepiperidino)propionic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=CC=CC=C3SC4=CC=CC=C42)CCC(=O)O

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3SC4=CC=CC=C42)CCC(=O)O

InChI

InChI=1S/C21H21NO2S/c23-20(24)11-14-22-12-9-15(10-13-22)21-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)21/h1-8H,9-14H2,(H,23,24)