ethyl 1-[(2-acetamido-1,3-benzothiazol-6-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-acetamido-1,3-benzothiazol-6-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(2-acetamido-1,3-benzothiazol-6-yl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-acetamido-1,3-benzothiazole-6-carbonyl)isonipecotic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

InChI

InChI=1S/C18H21N3O4S/c1-3-25-17(24)12-6-8-21(9-7-12)16(23)13-4-5-14-15(10-13)26-18(20-14)19-11(2)22/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,20,22)