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

Systemtic Name: ethyl 1-[4-(1,2-benzothiazol-3-ylcarbonylamino)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(1,2-benzothiazole-3-carbonylamino)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[1,2-benzothiazol-3-yl(oxo)methyl]amino]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,2-benzothiazole-3-carbonylamino)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(1,2-benzothiazole-3-carbonylamino)benzoyl]nipecotic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-2-30-23(29)16-6-5-13-26(14-16)22(28)15-9-11-17(12-10-15)24-21(27)20-18-7-3-4-8-19(18)31-25-20/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,24,27)