ethyl 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C)CC4CC4

InChI

InChI=1S/C22H29N3O3S/c1-3-28-20(27)22(13-16-5-6-16)8-10-25(11-9-22)19(26)14-29-21-23-17-7-4-15(2)12-18(17)24-21/h4,7,12,16H,3,5-6,8-11,13-14H2,1-2H3,(H,23,24)