3,3-dimethyl-1-[2-[5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]butane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-[5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]butane-1,2-dione Openeye Name: 1-[2-[5-(benzyloxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-butane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-pyrrolidinyl]butane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]butane-1,2-dione Traditional Name: 1-[2-[5-(benzoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidino]-3,3-dimethyl-butane-1,2-dione Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCC1C2=NN=C(S2)COCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCC1C2=NN=C(S2)COCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-20(2,3)17(24)19(25)23-11-7-10-15(23)18-22-21-16(27-18)13-26-12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3