tert-butyl 2-(2,3,6,7-tetrahydro-1,4-thiazepin-3-ylcarbonylamino)propanoate

Systemtic Name: tert-butyl 2-(2,3,6,7-tetrahydro-1,4-thiazepin-3-ylcarbonylamino)propanoate Openeye Name: tert-butyl 2-(2,3,6,7-tetrahydro-1,4-thiazepine-3-carbonylamino)propanoate CAS Name: 2-[[oxo(2,3,6,7-tetrahydro-1,4-thiazepin-3-yl)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,3,6,7-tetrahydro-1,4-thiazepine-3-carbonylamino)propanoate Traditional Name: 2-(2,3,6,7-tetrahydro-1,4-thiazepine-3-carbonylamino)propionic acid tert-butyl ester Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1CSCCC=N1

Isomeric SMILES

CC(C(=O)OC(C)(C)C)NC(=O)C1CSCCC=N1

InChI

InChI=1S/C13H22N2O3S/c1-9(12(17)18-13(2,3)4)15-11(16)10-8-19-7-5-6-14-10/h6,9-10H,5,7-8H2,1-4H3,(H,15,16)