tert-butyl 4-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)phenothiazine-10-carboxylate

Systemtic Name: tert-butyl 4-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)phenothiazine-10-carboxylate Openeye Name: tert-butyl 4-(6-morpholino-4-oxo-pyran-2-yl)phenothiazine-10-carboxylate CAS Name: 4-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-10-phenothiazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-morpholin-4-yl-4-oxopyran-2-yl)phenothiazine-10-carboxylate Traditional Name: 4-(4-keto-6-morpholino-pyran-2-yl)phenothiazine-10-carboxylic acid tert-butyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2SC3=C(C=CC=C31)C4=CC(=O)C=C(O4)N5CCOCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2SC3=C(C=CC=C31)C4=CC(=O)C=C(O4)N5CCOCC5

InChI

InChI=1S/C26H26N2O5S/c1-26(2,3)33-25(30)28-19-8-4-5-10-22(19)34-24-18(7-6-9-20(24)28)21-15-17(29)16-23(32-21)27-11-13-31-14-12-27/h4-10,15-16H,11-14H2,1-3H3