ethyl 4-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C36H31N3O4S2 MolecularWeight: 633.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C36H31N3O4S2/c1-2-43-35(41)25-19-21-26(22-20-25)37-34(40)33(24-11-4-3-5-12-24)44-28-14-10-13-27(23-28)38-36(42)39-29-15-6-8-17-31(29)45-32-18-9-7-16-30(32)39/h3-23,29,31,33H,2H2,1H3,(H,37,40)(H,38,42)