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

Systemtic Name: 5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C29H25N3O5S2 MolecularWeight: 559.6559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C29H25N3O5S2/c1-17(27(34)30-19-13-14-24(33)21(16-19)28(35)36)38-20-8-6-7-18(15-20)31-29(37)32-22-9-2-4-11-25(22)39-26-12-5-3-10-23(26)32/h2-17,22,25,33H,1H3,(H,30,34)(H,31,37)(H,35,36)