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

Systemtic Name: 2-[3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-10H-phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10H-phenothiazin-4-yl]acetic acid CAS Name: 2-[3,7-dimethoxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-10H-phenothiazin-4-yl]acetic acid IUPAC Name: 2-[3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-10H-phenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10H-phenothiazin-4-yl]acetic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2)C=CC(=C3CC(=O)O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2)C=CC(=C3CC(=O)O)OC)OC

InChI

InChI=1S/C22H26N2O6S/c1-22(2,3)30-21(27)23-11-13-17(29-5)9-7-15-20(13)31-19-12(10-18(25)26)16(28-4)8-6-14(19)24-15/h6-9,24H,10-11H2,1-5H3,(H,23,27)(H,25,26)