3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-10,10-diketo-thioxanthen-9-one Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C21H21NO4S/c1-13-6-5-7-14(2)22(13)21(24)15-10-11-17-19(12-15)27(25,26)18-9-4-3-8-16(18)20(17)23/h3-4,8-14H,5-7H2,1-2H3/t13-,14-/m1/s1