ethyl 1-[3-(1,2-benzothiazol-3-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1,2-benzothiazol-3-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1,2-benzothiazole-3-carbonylamino)-4-methyl-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[1,2-benzothiazol-3-yl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,2-benzothiazole-3-carbonylamino)-4-methylbenzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1,2-benzothiazole-3-carbonylamino)-4-methyl-benzoyl]nipecotic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O4S/c1-3-31-24(30)17-7-6-12-27(14-17)23(29)16-11-10-15(2)19(13-16)25-22(28)21-18-8-4-5-9-20(18)32-26-21/h4-5,8-11,13,17H,3,6-7,12,14H2,1-2H3,(H,25,28)