3-[2-(2-hydroxyethyl)piperidin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[2-(2-hydroxyethyl)piperidin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[2-(2-hydroxyethyl)-1-piperidinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-10,10-diketo-thioxanthen-9-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C(C1)CCO)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H21NO5S/c23-12-10-15-5-3-4-11-22(15)21(25)14-8-9-17-19(13-14)28(26,27)18-7-2-1-6-16(18)20(17)24/h1-2,6-9,13,15,23H,3-5,10-12H2