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

Systemtic Name: 2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]amino]acetic acid CAS Name: 2-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetic acid Traditional Name: 2-[benzyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amino]acetic acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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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=C4)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(CC4=CC=CC=C4)CC(=O)O)C

InChI

InChI=1S/C26H28N2O3S/c1-19-13-14-24-26(20(19)2)28(22-11-6-7-12-23(22)32(24)31)16-8-15-27(18-25(29)30)17-21-9-4-3-5-10-21/h3-7,9-14H,8,15-18H2,1-2H3,(H,29,30)