methyl 2-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C30H27N3O4S2 MolecularWeight: 557.68308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C30H27N3O4S2/c1-19(28(34)32-23-13-4-3-12-22(23)29(35)37-2)38-21-11-9-10-20(18-21)31-30(36)33-24-14-5-7-16-26(24)39-27-17-8-6-15-25(27)33/h3-19,24,26H,1-2H3,(H,31,36)(H,32,34)