1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-14-8-10-19(26-14)17(24)9-11-20(25)23-12-4-5-15(13-23)21-22-16-6-2-3-7-18(16)27-21/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3/t15-/m1/s1