tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)phenothiazine-10-carboxylate

Systemtic Name: tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)phenothiazine-10-carboxylate Openeye Name: tert-butyl 3,7-bis(dimethylamino)-1-sec-butyl-phenothiazine-10-carboxylate CAS Name: 1-butan-2-yl-3,7-bis(dimethylamino)-10-phenothiazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)phenothiazine-10-carboxylate Traditional Name: 3,7-bis(dimethylamino)-1-sec-butyl-phenothiazine-10-carboxylic acid tert-butyl ester Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC2=C1N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)OC(C)(C)C)N(C)C

Isomeric SMILES

CCC(C)C1=CC(=CC2=C1N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)OC(C)(C)C)N(C)C

InChI

InChI=1S/C25H35N3O2S/c1-10-16(2)19-13-18(27(8)9)15-22-23(19)28(24(29)30-25(3,4)5)20-12-11-17(26(6)7)14-21(20)31-22/h11-16H,10H2,1-9H3