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

Systemtic Name: 5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C28H23N3O5S2 MolecularWeight: 545.62932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC(=C(C=C5)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC(=C(C=C5)O)C(=O)O

InChI

InChI=1S/C28H23N3O5S2/c32-23-13-12-18(15-20(23)27(34)35)29-26(33)16-37-19-7-5-6-17(14-19)30-28(36)31-21-8-1-3-10-24(21)38-25-11-4-2-9-22(25)31/h1-15,21,24,32H,16H2,(H,29,33)(H,30,36)(H,34,35)