2-[4-(3,6-dimethyl-2-oxidanylidene-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)piperidin-1-yl]ethanal

Systemtic Name: 2-[4-(3,6-dimethyl-2-oxidanylidene-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)piperidin-1-yl]ethanal Openeye Name: 2-[4-(3,6-dimethyl-2-oxo-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)-1-piperidyl]acetaldehyde CAS Name: 2-[4-(3,6-dimethyl-2-oxo-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)-1-piperidinyl]acetaldehyde IUPAC Name: 2-[4-(3,6-dimethyl-2-oxo-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)piperidin-1-yl]acetaldehyde Traditional Name: 2-[2-(4-fluorophenyl)-4-(2-keto-3,6-dimethyl-1,3-benzothiazol-4-yl)piperidino]acetaldehyde Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O)N(C(=O)S2)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O)N(C(=O)S2)C

InChI

InChI=1S/C22H23FN2O2S/c1-14-11-18(21-20(12-14)28-22(27)24(21)2)16-7-8-25(9-10-26)19(13-16)15-3-5-17(23)6-4-15/h3-6,10-12,16,19H,7-9,13H2,1-2H3