(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-benzamido-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-benzamido-3-methyl-butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-17(2)24(27-25(30)18-10-4-3-5-11-18)26(31)32-16-23(29)28-19-12-6-8-14-21(19)33-22-15-9-7-13-20(22)28/h3-15,17,24H,16H2,1-2H3,(H,27,30)