(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (2R)-2-benzamidohexanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (2R)-2-benzamidohexanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (2R)-2-benzamidohexanoate CAS Name: (2R)-2-benzamidohexanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (2R)-2-benzamidohexanoate Traditional Name: (2R)-2-benzamidohexanoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c1-2-3-13-20(28-26(31)19-11-5-4-6-12-19)27(32)33-18-25(30)29-21-14-7-9-16-23(21)34-24-17-10-8-15-22(24)29/h4-12,14-17,20H,2-3,13,18H2,1H3,(H,28,31)/t20-/m1/s1