5-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid Formula: C34H27N3O5S2 MolecularWeight: 621.72528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C34H27N3O5S2/c38-28-18-17-23(20-25(28)33(40)41)35-32(39)31(21-9-2-1-3-10-21)43-24-12-8-11-22(19-24)36-34(42)37-26-13-4-6-15-29(26)44-30-16-7-5-14-27(30)37/h1-20,26,29,31,38H,(H,35,39)(H,36,42)(H,40,41)