methyl 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-14-17(12-15-6-4-3-5-7-15)22-20(21-14)27-13-18(24)23-10-8-16(9-11-23)19(25)26-2/h3-7,16H,8-13H2,1-2H3,(H,21,22)