5-(4-thioxanthen-9-ylidenepiperidin-1-yl)pentanoic acid

Systemtic Name: 5-(4-thioxanthen-9-ylidenepiperidin-1-yl)pentanoic acid Openeye Name: 5-(4-thioxanthen-9-ylidene-1-piperidyl)pentanoic acid CAS Name: 5-[4-(9-thioxanthenylidene)-1-piperidinyl]pentanoic acid IUPAC Name: 5-(4-thioxanthen-9-ylidenepiperidin-1-yl)pentanoic acid Traditional Name: 5-(4-thioxanthen-9-ylidenepiperidino)valeric acid Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2S/c25-22(26)11-5-6-14-24-15-12-17(13-16-24)23-18-7-1-3-9-20(18)27-21-10-4-2-8-19(21)23/h1-4,7-10H,5-6,11-16H2,(H,25,26)