2-[3,7-dimethoxy-10-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[3,7-dimethoxy-10-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10-methyl-phenothiazin-4-yl]acetic acid CAS Name: 2-[3,7-dimethoxy-10-methyl-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenothiazinyl]acetic acid IUPAC Name: 2-[3,7-dimethoxy-10-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10-methyl-phenothiazin-4-yl]acetic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2C)C=CC(=C3CC(=O)O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2C)C=CC(=C3CC(=O)O)OC)OC

InChI

InChI=1S/C23H28N2O6S/c1-23(2,3)31-22(28)24-12-14-18(30-6)10-8-16-21(14)32-20-13(11-19(26)27)17(29-5)9-7-15(20)25(16)4/h7-10H,11-12H2,1-6H3,(H,24,28)(H,26,27)