(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H23FN2O4S MolecularWeight: 478.535223

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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=C4F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H23FN2O4S/c1-16(2)24(28-25(31)17-9-3-4-10-18(17)27)26(32)33-15-23(30)29-19-11-5-7-13-21(19)34-22-14-8-6-12-20(22)29/h3-14,16,24H,15H2,1-2H3,(H,28,31)