ethyl 1-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-2-30-22(29)16-11-13-26(14-12-16)21(28)17-9-6-10-18-19(17)24-23(31-18)25-20(27)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H,24,25,27)