9-[2-[5-[ethyl(propan-2-yl)amino]pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol

Systemtic Name: 9-[2-[5-[ethyl(propan-2-yl)amino]pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Openeye Name: 9-[2-[5-[ethyl(isopropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol CAS Name: 9-[2-[5-[ethyl(propan-2-yl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-9-xanthenol IUPAC Name: 9-[2-[5-[ethyl(propan-2-yl)amino]pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Traditional Name: 9-[2-[5-[ethyl(isopropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Formula: C27H33NO2S2 MolecularWeight: 467.68642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O)C(C)C

Isomeric SMILES

CCN(CC#CCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O)C(C)C

InChI

InChI=1S/C27H33NO2S2/c1-4-28(21(2)3)18-11-5-10-17-26(31-19-12-20-32-26)27(29)22-13-6-8-15-24(22)30-25-16-9-7-14-23(25)27/h6-9,13-16,21,29H,4,10,12,17-20H2,1-3H3