tert-butyl 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methyl-propyl)amino]phenothiazine-10-carboxylate

Systemtic Name: tert-butyl 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methyl-propyl)amino]phenothiazine-10-carboxylate Openeye Name: tert-butyl 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methyl-propyl)amino]phenothiazine-10-carboxylate CAS Name: 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methylpropyl)amino]-10-phenothiazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methylpropyl)amino]phenothiazine-10-carboxylate Traditional Name: 3-(carbomethoxyamino)-7-[(3-methoxy-2-methyl-propyl)amino]phenothiazine-10-carboxylic acid tert-butyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)OC)C(=O)OC(C)(C)C)COC

Isomeric SMILES

CC(CNC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)OC)C(=O)OC(C)(C)C)COC

InChI

InChI=1S/C24H31N3O5S/c1-15(14-30-5)13-25-16-7-9-18-20(11-16)33-21-12-17(26-22(28)31-6)8-10-19(21)27(18)23(29)32-24(2,3)4/h7-12,15,25H,13-14H2,1-6H3,(H,26,28)