tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)-8-(methoxycarbonylamino)phenothiazine-10-carboxylate

Systemtic Name: tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)-8-(methoxycarbonylamino)phenothiazine-10-carboxylate Openeye Name: tert-butyl 3,7-bis(dimethylamino)-8-(methoxycarbonylamino)-1-sec-butyl-phenothiazine-10-carboxylate CAS Name: 1-butan-2-yl-3,7-bis(dimethylamino)-8-(methoxycarbonylamino)-10-phenothiazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butan-2-yl-3,7-bis(dimethylamino)-8-(methoxycarbonylamino)phenothiazine-10-carboxylate Traditional Name: 8-(carbomethoxyamino)-3,7-bis(dimethylamino)-1-sec-butyl-phenothiazine-10-carboxylic acid tert-butyl ester Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC2=C1N(C3=CC(=C(C=C3S2)N(C)C)NC(=O)OC)C(=O)OC(C)(C)C)N(C)C

Isomeric SMILES

CCC(C)C1=CC(=CC2=C1N(C3=CC(=C(C=C3S2)N(C)C)NC(=O)OC)C(=O)OC(C)(C)C)N(C)C

InChI

InChI=1S/C27H38N4O4S/c1-11-16(2)18-12-17(29(6)7)13-23-24(18)31(26(33)35-27(3,4)5)21-14-19(28-25(32)34-10)20(30(8)9)15-22(21)36-23/h12-16H,11H2,1-10H3,(H,28,32)