2-[6-[[tert-butyl(methanoyl)amino]methyl]-1,10-dimethyl-phenothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[[tert-butyl(methanoyl)amino]methyl]-1,10-dimethyl-phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[[tert-butyl(formyl)amino]methyl]-1,10-dimethyl-phenothiazin-4-yl]acetic acid CAS Name: 2-[6-[[tert-butyl(formyl)amino]methyl]-1,10-dimethyl-4-phenothiazinyl]acetic acid IUPAC Name: 2-[6-[[tert-butyl(formyl)amino]methyl]-1,10-dimethylphenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[[tert-butyl(formyl)amino]methyl]-1,10-dimethyl-phenothiazin-4-yl]acetic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)CC(=O)O)SC3=C(C=CC=C3N2C)CN(C=O)C(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)CC(=O)O)SC3=C(C=CC=C3N2C)CN(C=O)C(C)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-14-9-10-15(11-18(26)27)21-19(14)23(5)17-8-6-7-16(20(17)28-21)12-24(13-25)22(2,3)4/h6-10,13H,11-12H2,1-5H3,(H,26,27)