2-[6-[1-azanyl-2-(9H-fluoren-9-ylmethoxy)-2-oxidanylidene-ethyl]-10-methyl-phenothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[1-azanyl-2-(9H-fluoren-9-ylmethoxy)-2-oxidanylidene-ethyl]-10-methyl-phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-oxo-ethyl]-10-methyl-phenothiazin-4-yl]acetic acid CAS Name: 2-[6-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-10-methyl-4-phenothiazinyl]acetic acid IUPAC Name: 2-[6-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-10-methylphenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-keto-ethyl]-10-methyl-phenothiazin-4-yl]acetic acid Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2SC3=C(C=CC=C31)C(C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)N)CC(=O)O

Isomeric SMILES

CN1C2=CC=CC(=C2SC3=C(C=CC=C31)C(C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)N)CC(=O)O

InChI

InChI=1S/C31H26N2O4S/c1-33-25-14-6-8-18(16-27(34)35)29(25)38-30-23(13-7-15-26(30)33)28(32)31(36)37-17-24-21-11-4-2-9-19(21)20-10-3-5-12-22(20)24/h2-15,24,28H,16-17,32H2,1H3,(H,34,35)