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

Systemtic Name: methyl 1-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-29-21(28)15-10-12-25(13-11-15)20(27)16-8-5-9-17-18(16)23-22(30-17)24-19(26)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,23,24,26)