ethyl 1-[(2-acetamido-1,3-benzothiazol-6-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-acetamido-1,3-benzothiazol-6-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(2-acetamido-1,3-benzothiazol-6-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)nipecotic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

InChI

InChI=1S/C18H21N3O4S/c1-3-25-17(24)13-5-4-8-21(10-13)16(23)12-6-7-14-15(9-12)26-18(20-14)19-11(2)22/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,19,20,22)