3-diethoxyphosphoryl-2-ethylsulfanyl-5-(trifluoromethylsulfonyl)-9bH-thiopyrano[3,2-b]indole

Systemtic Name: 3-diethoxyphosphoryl-2-ethylsulfanyl-5-(trifluoromethylsulfonyl)-9bH-thiopyrano[3,2-b]indole Openeye Name: 3-diethoxyphosphoryl-2-ethylsulfanyl-5-(trifluoromethylsulfonyl)-9bH-thiopyrano[3,2-b]indole CAS Name: 3-diethoxyphosphoryl-2-(ethylthio)-5-(trifluoromethylsulfonyl)-9bH-thiopyrano[3,2-b]indole IUPAC Name: 3-diethoxyphosphoryl-2-ethylsulfanyl-5-(trifluoromethylsulfonyl)-9bH-thiopyrano[3,2-b]indole Traditional Name: 3-diethoxyphosphoryl-2-(ethylthio)-5-triflyl-9bH-thiopyran[3,2-b]indole Formula: C18H21F3NO5PS3 MolecularWeight: 515.527011

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(SC2C3=CC=CC=C3N(C2=C1)S(=O)(=O)C(F)(F)F)SCC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(SC2C3=CC=CC=C3N(C2=C1)S(=O)(=O)C(F)(F)F)SCC)OCC

InChI

InChI=1S/C18H21F3NO5PS3/c1-4-26-28(23,27-5-2)15-11-14-16(30-17(15)29-6-3)12-9-7-8-10-13(12)22(14)31(24,25)18(19,20)21/h7-11,16H,4-6H2,1-3H3