2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid Openeye Name: 2-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]acetic acid CAS Name: 2-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-[(2-hydroxyphenyl)methyl]amino]acetic acid IUPAC Name: 2-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]acetic acid Traditional Name: 2-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-salicyl-amino]acetic acid Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(CC4=CC=CC=C4O)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(CC4=CC=CC=C4O)CC(=O)O)C

InChI

InChI=1S/C26H28N2O4S/c1-18-12-13-24-26(19(18)2)28(21-9-4-6-11-23(21)33(24)32)15-7-14-27(17-25(30)31)16-20-8-3-5-10-22(20)29/h3-6,8-13,29H,7,14-17H2,1-2H3,(H,30,31)