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

Systemtic Name: 2-[carboxymethyl-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amino]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-14-8-9-18-21(15(14)2)23(16-6-3-4-7-17(16)29(18)28)11-5-10-22(12-19(24)25)13-20(26)27/h3-4,6-9H,5,10-13H2,1-2H3,(H,24,25)(H,26,27)