tert-butyl (3S)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)30-21(28)26-8-4-5-15(14-26)19(27)23-16-6-7-17-18(13-16)31-20(24-17)25-9-11-29-12-10-25/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H,23,27)/t15-/m0/s1