2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]-2-phenyl-acetic acid CAS Name: 2-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]-2-phenylacetic acid IUPAC Name: 2-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]-2-phenylacetic acid Traditional Name: 2-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]-2-phenyl-acetic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNC(C4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNC(C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H26N2O3S/c1-17-13-14-22-24(18(17)2)27(20-11-6-7-12-21(20)31(22)30)16-8-15-26-23(25(28)29)19-9-4-3-5-10-19/h3-7,9-14,23,26H,8,15-16H2,1-2H3,(H,28,29)