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

Systemtic Name: ethyl 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotoyl]isonipecotic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-4-29-22(28)18-7-9-25(10-8-18)21(27)17-5-11-26(12-6-17)23-24-20-16(3)13-15(2)14-19(20)30-23/h13-14,17-18H,4-12H2,1-3H3