ethyl 1-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(6-methoxy-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(6-methoxy-1,3-benzothiazol-2-yl)isonipecotoyl]isonipecotic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C22H29N3O4S/c1-3-29-21(27)16-8-10-24(11-9-16)20(26)15-6-12-25(13-7-15)22-23-18-5-4-17(28-2)14-19(18)30-22/h4-5,14-16H,3,6-13H2,1-2H3