ethyl 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-3-27-20(26)17-10-7-11-24(13-17)19(25)14-28-21-22-15(2)18(23-21)12-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3,(H,22,23)