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

Systemtic Name: 2-[10-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-methyl-phenothiazin-4-yl]acetic acid CAS Name: 2-[10-methyl-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenothiazinyl]acetic acid IUPAC Name: 2-[10-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-methyl-phenothiazin-4-yl]acetic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C2C(=CC=C1)N(C3=CC=CC(=C3S2)CC(=O)O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C2C(=CC=C1)N(C3=CC=CC(=C3S2)CC(=O)O)C

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)27-20(26)22-12-14-8-6-10-16-19(14)28-18-13(11-17(24)25)7-5-9-15(18)23(16)4/h5-10H,11-12H2,1-4H3,(H,22,26)(H,24,25)