tert-butyl 7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-morpholino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-(4-morpholinyl)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-morpholino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H26N2O3S/c1-18(2,3)23-17(21)20-8-11-24-16-5-4-15(12-14(16)13-20)19-6-9-22-10-7-19/h4-5,12H,6-11,13H2,1-3H3